SCHEMBL3789998

SCHEMBL3789998

CCc1cccc(Cl)c1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
GABRA1 P14867 4/20 0.46
GABRB2 P47870 4/20 0.46
PNMT P11086 2/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
P2RX7 Q99572 6/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.39

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
SCHEMBL11006111 0.84 ALDH1A1 (0.46) ALDH1A1PNMTLMNAPOLBP2RX7
SCHEMBL8094251 0.82 ALDH1A1 (0.45) ALDH1A1PNMTLMNAPOLBP2RX7
SCHEMBL599099 0.82 GABRA1 (0.57) GABRA1GABRB2MAPT
SCHEMBL3119523 0.81 ALDH1A1 (0.48) ALDH1A1PNMTLMNAP2RX7HPGD
Ammonia Solution, Strong SCHEMBL9357829 0.79 GABRA1 (0.55) GABRA1GABRB2MAPT
Water SCHEMBL28182555 0.79 GABRA1 (0.55) GABRA1GABRB2MAPT
SCHEMBL724659 0.79 ALDH1A1 (0.46) ALDH1A1PNMTLMNAP2RX7HPGD
SCHEMBL9784664 0.79 ALDH1A1 (0.46) ALDH1A1PNMTLMNAP2RX7HPGD
SCHEMBL5066645 0.79 ALDH1A1 (0.46) ALDH1A1PNMTLMNAP2RX7HPGD
SCHEMBL14142844 0.79 ALDH1A1 (0.46) ALDH1A1PNMTLMNAP2RX7HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244167-B1 IMPROVED PROCESS FOR PREPARING POLY (ARYL ETHERS) AND POLY (ARYL ETHER KETONES) AMOCO CORPORATION (US) 1990-04-04 EP claimed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
EP-3661921-B1 SELECTIVE INHIBITORS OF NLRP3 INFLAMMASOME NODTHERA LTD (GB) 2023-10-18 EP disclosed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
WO-2023020457-A1 PYRIDAZINONE OR PYRIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-02-23 WO disclosed
WO-2022271679-A1 SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-12-29 WO disclosed
US-11345714-B2 Compounds targeting proteins, compositions, methods, and uses thereof BIOTHERYX, INC. (US) 2022-05-31 US disclosed
US-20220162203-A1 HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT VORONOI INC. (KR) 2022-05-26 US disclosed
WO-2022094271-A1 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2022-05-05 WO disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use MERCK SHARP & DOHME LLC 2009-08-13 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
EP-2003131-A1 AMINOPYRROLIDINE COMPOUND Taisho Pharmaceutical Co. Ltd. (JP) 2008-12-17 EP disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-7230023-B2 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2007-06-12 US disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed
EP-0175122-A2 Process for the manufacture of polymers containing reactive end groups BAYER AG (DE) 1986-03-26 EP 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 (8 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 ALDH1A1 2674/4885GABRA1 373/4885GABRB2 670/4885
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 IDUA, MAN2B1, GBA1 ALDH1A1 796/4885GABRA1 1711/4885GABRB2 1925/4885
US-11345714-B2 Compounds targeting proteins, compositions, methods, and uses thereof CKS1B, IKZF3, EPAS1 ALDH1A1 2758/4885GABRA1 2064/4885GABRB2 3462/4885
US-20220162203-A1 HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT ERBB4, ERBB2, EGFR ALDH1A1 3534/4885GABRA1 2212/4885GABRB2 1869/4885
US-20090203903-A1 Thiazolyl mglur5 antagonists and methods for their use GRM5, GRIK5, GRM3 ALDH1A1 3053/4885GABRA1 103/4885GABRB2 148/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD ALDH1A1 3192/4885GABRA1 1363/4885GABRB2 1068/4885
US-20230357233-A1 HETEROARYL COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 1158/4885GABRA1 4281/4885GABRB2 4142/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS ALDH1A1 3208/4885GABRA1 3975/4885GABRB2 4007/4885

“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.