SCHEMBL8957480

SCHEMBL8957480

CC(C)(C)c1cc2cc[nH]c2cc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.48
▸ CYP2A6 P11509 3/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CFTR P13569 1/20 0.42
▸ AHR P35869 7/20 0.42
▸ NR4A2 P43354 2/20 0.42
▸ CMA1 P23946 1/20 0.42
▸ F7 P08709 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ F3 P13726 1/20 0.42
▸ TYR P14679 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ RAD51 Q06609 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8957501 0.91 GPR84 (0.46) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL30741638 0.88 CFTR (0.47) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL13285075 0.86 GPR84 (0.44) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL14616743 0.86 GPR84 (0.44) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL8957446 0.84 GPR84 (0.62) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL8957459 0.84 CSNK2A1 (0.50) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL396029 0.84 GPR84 (0.42) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL29358322 0.84 GPR84 (0.42) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL8529327 0.84 CSNK2A1 (0.55) GPR84CYP2A6CSNK2A1MEN1POLB
SCHEMBL26824096 0.84 GPR84 (0.62) GPR84CYP2A6CSNK2A1MEN1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 — — US disclosed
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-25 — — US disclosed
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2021-04-27 — — US disclosed
US-10987348-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-27 — — US disclosed
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2020-12-17 — — US disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 — — US disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 — — US disclosed
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-14 — — US disclosed
US-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 — — US disclosed
US-9974781-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-22 — — US disclosed
US-20100168094-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-01 — — US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 — — US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 — — US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 — — US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 — — US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 — — US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 — — US disclosed
US-20070105884-A1 Opiate analogs selective for the delta-opioid receptor WELSH WILLIAM J 2007-05-10 — — US disclosed
US-7164021-B2 Opiate analogs selective for the δ-opioid receptor THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2007-01-16 — — US disclosed
US-7164021-B2 Opiate analogs selective for the δ-opioid receptor THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2007-01-16 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GPR84 522/4885CYP2A6 1793/4885CSNK2A1 4180/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GPR84 522/4885CYP2A6 1793/4885CSNK2A1 4180/4885
US-10987348-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GPR84 409/4885CYP2A6 1094/4885CSNK2A1 4288/4885
US-20070105884-A1 Opiate analogs selective for the delta-opioid receptor OPRM1, OPRD1, OPRK1 GPR84 154/4885CYP2A6 1637/4885CSNK2A1 1177/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GPR84 469/4885CYP2A6 1700/4885CSNK2A1 3997/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GPR84 522/4885CYP2A6 1793/4885CSNK2A1 4180/4885
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GPR84 409/4885CYP2A6 1094/4885CSNK2A1 4288/4885
US-10988466-B2 Heterocyclic derivatives useful as SHP2 inhibitors PTPRJ, PTPN5, PTPN1 GPR84 2711/4885CYP2A6 3159/4885CSNK2A1 306/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GPR84 522/4885CYP2A6 1793/4885CSNK2A1 4180/4885
US-20200392128-A1 NOVEL HETEROCYCLIC DERIVATIVES USEFUL AS SHP2 INHIBITORS PTPN5, PTPN1, PTPRJ GPR84 2372/4885CYP2A6 3126/4885CSNK2A1 325/4885
US-20100168094-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC2 GPR84 229/4885CYP2A6 2703/4885CSNK2A1 4033/4885
US-11858945-B2 Alkyne-containing antiviral agents ACE, SARS1, ACE2 GPR84 1931/4885CYP2A6 1347/4885CSNK2A1 743/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 GPR84 370/4885CYP2A6 3185/4885CSNK2A1 3946/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GPR84 409/4885CYP2A6 1094/4885CSNK2A1 4288/4885
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ACE, SARS1, ACE2 GPR84 1931/4885CYP2A6 1347/4885CSNK2A1 743/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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