SCHEMBL231467

SCHEMBL231467

CCc1cccc(P)c1CC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.46
▸ GABRB2 P47870 4/20 0.46
▸ TAAR1 Q96RJ0 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ KCNH2 Q12809 2/20 0.36
▸ SCN5A Q14524 2/20 0.36
▸ MAOA P21397 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ DHFR P00374 1/20 0.32
▸ DAO P14920 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL4257318 0.98 GABRA1 (0.44) GABRA1GABRB2TAAR1HTR1AKCNH2
Hydrochloric Acid SCHEMBL827415 0.88 GABRA1 (0.40) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL245773 0.82 GABRA1 (0.57) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL11228913 0.81 BID (0.42) GABRA1GABRB2KCNH2
SCHEMBL9407940 0.80 HTT (0.45) GABRA1GABRB2HTR1AKCNH2MAOA
SCHEMBL11225510 0.80 BID (0.45) KCNH2
SCHEMBL11223954 0.80 TP53 (0.41) GABRA1GABRB2TAAR1HTR1ATP53
SCHEMBL31498538 0.79 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AKCNH2
Methane SCHEMBL28776675 0.79 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AKCNH2
Methylamine SCHEMBL27545014 0.79 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AKCNH2

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 1556 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036772-A Synthesis method of beta-pinacol borate-alkyl ketone compound 陇东学院 2026-05-15 — — CN claimed
WO-2026090602-A1 PIGMENTED RESIN AND CATALYST COMPOSITIONS MATERIA, INC. (US) 2026-04-30 — — WO claimed
EP-4683900-A2 ROMP AND THERMAL INSULATION COMPOSITIONS AND MATERIALS AND USE THEREOF Materia, Inc. (US) 2026-01-28 — — EP claimed
US-12497412-B2 Compound as highly selective ROS1 inhibitor and use thereof GUANGZHOU JOYO PHARMATECH CO., LTD. (CN) 2025-12-16 — — US claimed
EP-3013886-B1 THERMAL INSULATION MATERIA INC (US) 2025-03-26 — — EP claimed
EP-2961778-B1 METAL CARBENE OLEFIN METATHESIS TWO CATALYST COMPOSITION MATERIA INC (US) 2025-02-26 — — EP claimed
US-12209107-B2 Process for preparing high puritiy allopregnanolone and intermediates thereof CRYSTAL PHARMA, S.A.U. (ES) 2025-01-28 — — US claimed
CN-111936117-B Covalent treatment of keratin-containing materials 生活实验公司 2025-01-07 — — CN claimed
CN-119158591-A Magnetic nano noble metal catalyst, preparation method thereof, method for preparing hydrogenated nitrile rubber, hydrogenated nitrile rubber and application thereof 中国石油化工股份有限公司 2024-12-20 — — CN claimed
US-12162829-B2 Gas phase process for acrylate production from ethylene and carbon dioxide CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2024-12-10 — — US claimed
US-4637987-A Gas monitoring device and method GOULD INC. (US) 1987-01-20 — — US claimed
US-4544707-A Manganese-tertiary phosphine-polymer complexes GOULD INC. (US) 1985-10-01 — — US claimed
US-4482640-A NICKEL COMPOUND, PHOSPHINE, CARBOXYLIC ACID AS CATALYST PHILLIPS PETROLEUM COMPANY (US) 1984-11-13 — — US claimed
US-4459191-A PHOTOINITIATORS, OLEFIN PENNWALT CORPORATION (US) 1984-07-10 — — US claimed
EP-0106911-A1 Light-catalyzed process for preparing amines PENNWALT CORPORATION (US) 1984-05-02 — — EP claimed
US-4250063-A COORDINATION CATALYST COMPRISING AN ORGANIC COMPLEX OF TUNGSTEN OR MOLYBDENUM, A TITANIUM TETRAHALIDE, AND AN N-HALO IMIDE, A SULFIDE, A SULFOXIDE, OR A PHOSPHINE; POLYALKENAMERS JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1981-02-10 — — US claimed
US-4207258-A HYDROGENATION ANKERFARM S.P.A. (IT) 1980-06-10 — — US claimed
US-4201728-A RHODIUM METAL COMPLEX CATALYST CELANESE CORPORATION (US) 1980-05-06 — — US claimed
US-4169861-A STAVILIZED RHODIUM METAL BIDENTATE LIGAND AND MONODENTATE LIGAND CELANESE CORPORATION (US) 1979-10-02 — — US claimed
US-3992322-A Preparation of polymerization catalyst systems UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-11-16 — — US 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 (3 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-12497412-B2 Compound as highly selective ROS1 inhibitor and use thereof ROS1, NOX1, NOX4 GABRA1 3316/4885GABRB2 3587/4885TAAR1 3106/4885
US-12162829-B2 Gas phase process for acrylate production from ethylene and carbon dioxide MSMO1, ALOX15, ALOX12 GABRA1 4036/4885GABRB2 4311/4885TAAR1 3912/4885
US-12209107-B2 Process for preparing high puritiy allopregnanolone and intermediates thereof CYP21A2, CYP17A1, CYP11B1 GABRA1 255/4885GABRB2 245/4885TAAR1 529/4885

“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.

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