SCHEMBL1133067

SCHEMBL1133067

Cc1ccccc1-c1c(C)cccc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.56
TSHR P16473 1/20 0.50
ACHE P22303 1/20 0.50
HTR7 P34969 2/20 0.47
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
HEXA P06865 1/20 0.46
HEXB P07686 1/20 0.46
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA7 P43166 2/20 0.45
PDK2 Q15119 1/20 0.44
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL28899579 0.91 MYC (0.58) MYCTSHRACHEHTR7NPC1
SCHEMBL3355661 0.89 MYC (0.47) MYCTSHRACHEHTR7NPC1
SCHEMBL2277338 0.88 MYC (0.50) MYCTSHRACHEHTR7NPC1
Phosphoric Acid SCHEMBL29061092 0.86 MYC (0.55) MYCTSHRACHEHTR7NPC1
SCHEMBL9678804 0.85 CYP3A4 (0.54) MYCTSHRACHENPC1CASP3
SCHEMBL31054315 0.83 HEXA (0.47) MYCTSHRACHENPC1CASP3
SCHEMBL18215017 0.83 MYC (0.42) MYCTSHRACHEHTR7NPC1
SCHEMBL7647835 0.83 TRPA1 (0.50) MYCTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL10468391 0.83 ALDH1A1 (0.54) MYCTSHRACHEHTR7NPC1
SCHEMBL4161420 0.81 CA1 (0.48) MYCTSHRACHEHTR7NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376084-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2024-11-14 US disclosed
US-20240116965-A1 ORGANOMETALLIC COMPOUNDS UMICORE AG & CO. KG (DE) 2024-04-11 US disclosed
CN-116802187-A Organometallic compounds 优米科尔股份公司及两合公司 2023-09-22 CN disclosed
WO-2023155554-A1 ELECTRICALLY CONDUCTIVE POLYMER, PREPARATION METHOD THEREFOR AND LIGHT-EMITTING DIODE TCL科技集团股份有限公司 2023-08-24 WO disclosed
EP-3197982-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-06 EP disclosed
US-10544177-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-01-28 US disclosed
US-10544177-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-01-28 US disclosed
EP-3551638-A2 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF Boehringer Ingelheim International GmbH (DE) 2019-10-16 EP disclosed
US-20190144475-A1 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-05-16 US disclosed
US-10221203-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-03-05 US disclosed
US-20030158419-A1 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-21 US disclosed
EP-1313560-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2003-05-28 EP disclosed
EP-1312605-A1 Method for producing biaryl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-21 EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 WO disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO disclosed
US-5561016-A HAVING PHOTOCONDUCTIVE LAYER CONTAINING CHARGE GENERATING MATERIAL, POLYVINYL BUTYRAL BINDER, CHARGE TRANSPORTING MATERIAL AND BIPHENYL(OR DERIVATIVE) ON ELECTROCONDUCTIVE SUPPORT RICOH COMPANY, LTD. (JP) 1996-10-01 US disclosed
US-4182915-A PHENOL FROM BENZENE BY REACTION OF THALLIUM/III/ METALLATE WITH HYDROXYL DONOR HALCON INTERNATIONAL, INC. (US) 1980-01-08 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 (6 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-20190144475-A1 NOVEL CHIRAL DIHYDROBENZOOXAPHOSPHOLE LIGANDS AND SYNTHESIS THEREOF DCPS, PPIP5K2, PNPO MYC 3235/4885TSHR 4740/4885ACHE 2475/4885
US-20240376084-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS SERPINB1, LTA, SERPINC1 MYC 4186/4885TSHR 2980/4885ACHE 2208/4885
US-20240116965-A1 ORGANOMETALLIC COMPOUNDS DDT, PPOX, PDCD2L MYC 1154/4885TSHR 4565/4885ACHE 1496/4885
US-10544177-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof DCPS, PNPO, PPIP5K2 MYC 2992/4885TSHR 4685/4885ACHE 2144/4885
US-10221203-B2 Chiral dihydrobenzooxaphosphole ligands and synthesis thereof DCPS, PNPO, PPIP5K2 MYC 2992/4885TSHR 4685/4885ACHE 2144/4885
US-20030158419-A1 Method for producing biaryl compound B2M, BMI1, CYP2W1 MYC 1750/4885TSHR 1588/4885ACHE 2392/4885

“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.