SCHEMBL62944

SCHEMBL62944

[c]1cccc2c1CCCCC2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
BCL2L1 Q07817 1/20 0.34
BAD Q92934 1/20 0.34
CYP2A6 P11509 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SIGMAR1 Q99720 1/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL152117 1.00 TSHR (0.46) TSHRBCL2L1BADCYP2A6MAOA
SCHEMBL151022 1.00 TSHR (0.46) TSHRBCL2L1BADCYP2A6MAOA
SCHEMBL8890 0.98 TSHR (0.48) TSHRBCL2L1BADCYP2A6MAOA
SCHEMBL24682 0.93
SCHEMBL34907 0.83
SCHEMBL2885325 0.76 TSHR (0.50) TSHRBCL2L1BADCYP2A6MAOA
SCHEMBL10471250 0.75 CYP2A6 (0.47) TSHRCYP2A6MAOAMAOBHPGD
SCHEMBL520050 0.74
SCHEMBL12520890 0.72 TSHR (0.31) TSHR
SCHEMBL5420509 0.70

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 1529 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240156778-A1 THIOPHENE DERIVATIVES FOR USE IN TREATING PORTAL INFLAMMATION AND FIBROSIS ENYO PHARMA (FR) 2024-05-16 US claimed
US-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2023-10-26 US claimed
US-20230331753-A1 Ligand Compound, Organochromium Compound and Catalyst System Comprising the Same LG CHEM, LTD. (KR) 2023-10-19 US claimed
US-20230321033-A1 THIOPHEN COMPOUNDS FOR USE IN THE TREATMENT OF RENAL FIBROSIS ENYO PHARMA (FR) 2023-10-12 US claimed
EP-4215537-A1 LIGAND COMPOUND, ORGANIC CHROMIUM COMPOUND, AND CATALYST SYSTEM COMPRISING SAME Lg Chem, Ltd. (KR) 2023-07-26 EP claimed
EP-4196482-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SiteOne Therapeutics, Inc. (US) 2023-06-21 EP claimed
EP-4192448-A1 THIOPHEN COMPOUNDS FOR USE IN THE TREATMENT OF RENAL FIBROSIS ENYO Pharma (FR) 2023-06-14 EP claimed
WO-2022036297-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2022-02-17 WO claimed
US-11236097-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2022-02-01 US claimed
US-20220009938-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2022-01-13 US claimed
US-6057352-A CONTROLLING PLANT DISEASES CAUSED BY FUNGAL PLANT PATHOGENS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US claimed
WO-1998033382-A1 FUNGICIDAL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-08-06 WO claimed
WO-1998023155-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-04 WO claimed
EP-0836384-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-22 EP claimed
EP-0825992-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-04 EP claimed
EP-0821677-A1 OXAZOLINE AND THIAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-02-04 EP claimed
WO-1997000612-A1 ARTHROPODICIDAL AND FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-09 WO claimed
WO-1996036229-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO claimed
WO-1996036633-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-11-21 WO claimed
WO-1996033180-A1 OXAZOLINE AND THIAZOLINE ARTHROPODICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-10-24 WO claimed

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-20240156778-A1 THIOPHENE DERIVATIVES FOR USE IN TREATING PORTAL INFLAMMATION AND FIBROSIS FABP1, SLC10A1, TPMT TSHR 2612/4885BCL2L1 2439/4885BAD 3256/4885
US-11236097-B2 11,13-modified saxitoxins for the treatment of pain SCN11A, SCN10A, CACNA1A TSHR 2253/4885BCL2L1 4399/4885BAD 2929/4885
US-20230331753-A1 Ligand Compound, Organochromium Compound and Catalyst System Comprising the Same ETV6, ESR1, OXER1 TSHR 655/4885BCL2L1 1121/4885BAD 1316/4885
US-20230339958-A1 NON-HYDRATED KETONE INHIBITORS OF NAV1.7 FOR THE TREATMENT OF PAIN SCN7A, SCN10A, HCN3 TSHR 4297/4885BCL2L1 2995/4885BAD 1589/4885
US-20230321033-A1 THIOPHEN COMPOUNDS FOR USE IN THE TREATMENT OF RENAL FIBROSIS TST, TPMT, MMP1 TSHR 2177/4885BCL2L1 3811/4885BAD 2667/4885
US-20220009938-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SCN11A, SCN10A, SCN3A TSHR 2772/4885BCL2L1 4009/4885BAD 2895/4885

“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.