SCHEMBL9962275

SCHEMBL9962275

CC(C)c1cccc2c1OC(F)(F)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRB2 P47870 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
HTR2B P41595 1/20 0.38
GABRA2 P47869 1/20 0.38

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
SCHEMBL23232390 0.86 CYP1A2 (0.38) LMNACYP1A2CYP3A4IDO1MPO
SCHEMBL3704838 0.86 CYP1A2 (0.38) LMNACYP1A2CYP3A4IDO1MPO
SCHEMBL10122079 0.85 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRB2FAAH
Hydrochloric Acid SCHEMBL3697431 0.84 ALDH1A1 (0.40) LMNACYP1A2CYP3A4IDO1MPO
SCHEMBL15887374 0.84 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL18856202 0.83 MPO (0.32) IDO1MPOGPR3
SCHEMBL20098915 0.82 IDO1 (0.34) IDO1MPOADORA2A
SCHEMBL8400149 0.81 IDO1 (0.32) IDO1MPODOT1LADORA2AGPR3
SCHEMBL18500388 0.81 IDO1 (0.37) IDO1MPOADORA2AFFAR4
SCHEMBL6124113 0.80 LMNA (0.31) GABRA1GABRG2GABRB3GABRB2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
US-20230330061-A1 ANTIMICROBIAL COMPOSITIONS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF NATIONAL TAIWAN UNIVERSITY (TW) 2023-10-19 US disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (13 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRA1 4260/4885GABRG2 4639/4885GABRB3 4200/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRA1 4260/4885GABRG2 4639/4885GABRB3 4200/4885
US-20230330061-A1 ANTIMICROBIAL COMPOSITIONS, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF FASN, NAAA, FPR3 GABRA1 748/4885GABRG2 1054/4885GABRB3 1000/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 GABRA1 3455/4885GABRG2 3372/4885GABRB3 3046/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 GABRA1 4260/4885GABRG2 4639/4885GABRB3 4200/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS GABRA1 1183/4885GABRG2 1287/4885GABRB3 798/4885
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 GABRA1 1789/4885GABRG2 1885/4885GABRB3 1658/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS GABRA1 1183/4885GABRG2 1287/4885GABRB3 798/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS GABRA1 3618/4885GABRG2 3119/4885GABRB3 3938/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 GABRA1 2619/4885GABRG2 2616/4885GABRB3 2228/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP GABRA1 764/4885GABRG2 441/4885GABRB3 515/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 GABRA1 3062/4885GABRG2 2987/4885GABRB3 3557/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS GABRA1 3975/4885GABRG2 2978/4885GABRB3 3759/4885

“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.