Sugi Predict

Sugi Predict / Compounds / SCHEMBL6690123

SCHEMBL6690123

SCHEMBL6690123

COc1cccc(C(C)(C)C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.44
▸ CA1 P00915 4/20 0.44
▸ CA7 P43166 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA14 Q9ULX7 2/20 0.44
▸ CA4 P22748 1/20 0.44
▸ GABRA1 P14867 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ TP53 P04637 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL31539075 1.00 CA2 (0.44) CA2CA1CA7CA9CA12
SCHEMBL701207 0.84 CA2 (0.44) CA2GABRA1GABRB2ALDH1A1CYP3A4
SCHEMBL16049413 0.81 AR (0.44) CA2CA1CA7CA9CA12
SCHEMBL8254852 0.80 CYP3A4 (0.41) CA2CA1CA7CA9CA12
SCHEMBL29771456 0.79 CA2 (0.57) CA2CA1CA7CA9CA12
SCHEMBL142899 0.79 CA2 (0.57) CA2CA1CA7CA9CA12
SCHEMBL31438691 0.78 SMN1; SMN2 (0.47) CA2CA1CA7CA9CA12
SCHEMBL8417921 0.78 SMN1; SMN2 (0.47) CA2CA1CA7CA9CA12
SCHEMBL8733235 0.78 CA2 (0.44) CA2CA1CA7CA9CA12
SCHEMBL5061063 0.78 CA2 (0.57) CA2CA1GABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1332242-B1 ELECTROCHEMICAL METHOD FOR SELECTIVELY TRANSFORMING ALKYLAROMATIC COMPOUNDS INTO ALDEHYDES ELECTRICITE DE FRANCE (FR) 2004-11-17 — — EP claimed
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 — — US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 — — US disclosed
US-11697650-B2 Compounds having tetrahydroindolizine-1-carboxamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-07-11 — — US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 — — US disclosed
US-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. 2021-02-11 — — US disclosed
US-9926262-B2 EP4 agonists as therapeutic compounds ALLERGAN, INC. (US) 2018-03-27 — — US disclosed
US-20170183293-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2017-06-29 — — US disclosed
WO-2017039778-A1 OPIOID RECEPTOR MODULATORS AND USE THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-03-09 — — WO disclosed
US-9522145-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-20 — — US disclosed
US-8119812-B2 Thiazolidinone derivative SBI BIOTECH CO., LTD. (JP) 2012-02-21 — — US disclosed
US-8119812-B2 Thiazolidinone derivative SBI BIOTECH CO., LTD. (JP) 2012-02-21 — — US disclosed
US-20110190299-A1 THIAZOLIDINONE DERIVATIVE SBI BIOTECH CO., LTD. (JP) 2011-08-04 — — US disclosed
US-20110190299-A1 THIAZOLIDINONE DERIVATIVE SBI BIOTECH CO., LTD. (JP) 2011-08-04 — — US disclosed
US-20110112079-A1 PHOSPHODIESTERASE INHIBITORS THE GOV. OF THE U.S.A. AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH AND HUMAN SERVICES 2011-05-12 — — US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 — — US disclosed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 — — WO disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 — — US disclosed
US-4288638-A Process for the synthesis of 2,4-dinitro-6-t-butyl-3-methylanisole, referred to as musk ambrette SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1981-09-08 — — US disclosed
US-4236029-A Process for the synthesis of 2,4-dinitro-6-t-butyl-3-methylanisole, referred to as musk ambrette SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1980-11-25 — — 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 (9 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-20110190299-A1 THIAZOLIDINONE DERIVATIVE CDC7, CDK17, CDCA2 CA2 3377/4885CA1 4525/4885CA7 2124/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CA2 3102/4885CA1 2588/4885CA7 4261/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CA2 4029/4885CA1 4396/4885CA7 4531/4885
US-20110112079-A1 PHOSPHODIESTERASE INHIBITORS PDE5A, PDE3B, PDE3A CA2 607/4885CA1 2560/4885CA7 952/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CA2 826/4885CA1 3378/4885CA7 1238/4885
US-20170183293-A1 NOVEL EP4 AGONISTS AS THERAPEUTIC COMPOUNDS PTGER4, PTGER1, PTGER3 CA2 4666/4885CA1 4605/4885CA7 4840/4885
US-20210040089-A1 KRAS MUTANT PROTEIN INHIBITORS KRAS, NRAS, APC CA2 3435/4885CA1 3938/4885CA7 3360/4885
US-11697650-B2 Compounds having tetrahydroindolizine-1-carboxamide as BCL-2 inhibitors BCL2, BCL2L1, BCL2A1 CA2 1923/4885CA1 1858/4885CA7 4286/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CA2 4029/4885CA1 4396/4885CA7 4531/4885

“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.