SCHEMBL3131079

SCHEMBL3131079

COc1ccc(N=Cc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.69
ALDH1A1 P00352 6/20 0.60
GAA P10253 6/20 0.60
CA2 P00918 4/20 0.59
PTGS2 P35354 4/20 0.59
CA12 O43570 2/20 0.59
CA9 Q16790 2/20 0.59
PTGS1 P23219 1/20 0.59
CA1 P00915 3/20 0.58
TRPA1 O75762 1/20 0.57
MAPT P10636 7/20 0.53
KMT2A Q03164 5/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 3/20 0.53
ALOX12 P18054 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53

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
SCHEMBL3131073 1.00 S100B (0.69) S100BALDH1A1GAACA2PTGS2
SCHEMBL11199125 0.95 S100B (0.63) S100BALDH1A1GAACA2PTGS2
SCHEMBL9628035 0.95 S100B (0.63) S100BALDH1A1GAACA2PTGS2
SCHEMBL9628039 0.95 S100B (0.63) S100BALDH1A1GAACA2PTGS2
SCHEMBL12416658 0.93 TRPA1 (0.70) S100BALDH1A1GAACA2PTGS2
SCHEMBL3082818 0.93 TRPA1 (0.70) S100BALDH1A1GAACA2PTGS2
SCHEMBL443413 0.92 S100B (0.69) S100BALDH1A1GAACA2PTGS2
SCHEMBL443412 0.92 S100B (0.69) S100BALDH1A1GAACA2PTGS2
SCHEMBL12416630 0.90 S100B (0.82) S100BALDH1A1GAACA2PTGS2
SCHEMBL10733285 0.90 S100B (0.82) S100BALDH1A1GAACA2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2749553-A1 Process for preparation of enantiomerically pure S-(+)-N, N-dimethyl-a-[2-(naphthalenyloxy)ethyl] benzenemethanamine Deva Holding Anonim Sirketi (TR) 2014-07-02 EP claimed
CN-101585780-A Method for asymmetric synthesis of chiral paclitaxel lateral chain UNIV EAST CHINA NORMAL (CN) 2009-11-25 CN claimed
US-5527385-A CONTAINING ELECTRON DONATING CHROMOGENIC COMPOUND, ELECTRON ACCEPTING COMPOUND, HYDRAZIDE COMPOUND DESENSITIZER, TRANSITION TEMPERATURE MODIFIER SAKURA COLOR PRODUCTS CORPORATION (JP) 1996-06-18 US claimed
US-5350633-A Carbazole derivative desensitizer SAKURA COLOR PRODUCTS CORPORATION (JP) 1994-09-27 US claimed
US-5350634-A Microcapsules, desensitizers SAKURA COLOR PRODUCTS CORPORATION (JP) 1994-09-27 US claimed
US-4018507-A Liquid crystal device, composition therefor, and method for preparing the composition AMERICAN MICRO-SYSTEMS, INC. (US) 1977-04-19 US claimed
US-12441700-B2 Hydrogenation of imines with RU complexes FIRMENICHI SA (CH) 2025-10-14 US disclosed
CN-119303575-A Novel Cu+Zr (OH)4Application of physical mixed catalyst in catalytic synthesis of N-benzylidene aniline or derivative thereof 兰州大学 2025-01-14 CN disclosed
CN-118955540-A Synthesis method of alpha-amino organoboron compound 中国科学院大连化学物理研究所 2024-11-15 CN disclosed
CN-115745808-B Method for preparing secondary amine compound by catalyzing reduction of imine compound 延安大学 2024-04-30 CN disclosed
EP-3931176-B1 HYDROGENATION OF IMINES WITH RU COMPLEXES FIRMENICH & CIE (CH) 2024-02-14 EP disclosed
US-11845055-B2 Swellable organically modified silica as nanoreactors APPALACHIAN STATE UNIVERSITY (US) 2023-12-19 US disclosed
CN-113861065-B Method for preparing asymmetric imine or asymmetric secondary amine compound by photocatalysis 苏州大学张家港工业技术研究院 2023-09-26 CN disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 US disclosed
US-4018507-A Liquid crystal device, composition therefor, and method for preparing the composition AMERICAN MICRO-SYSTEMS, INC. (US) 1977-04-19 US disclosed
US-4012434-A Nematic compounds and mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-03-15 US disclosed
US-4002670-A 4'-ALKOXY OR ALKYL PHENYL ESTERS OF 4-ALKYL OR ALKOXY BENZOIC ACIDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-01-11 US disclosed
US-4001137-A Nematic compounds and mixtures MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-01-04 US disclosed
US-3993645-A Stilbene optical brighteners and compositions brightened therewith STERLING DRUG INC. (US) 1976-11-23 US disclosed
US-3932301-A NYLON, POLYESTERS STERLING DRUG INC. (US) 1976-01-13 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 (2 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-12441700-B2 Hydrogenation of imines with RU complexes HRH3, HNMT, HRH4 S100B 3915/4885ALDH1A1 3213/4885GAA 4486/4885
US-11845055-B2 Swellable organically modified silica as nanoreactors MSN, SORD, OGA S100B 685/4885ALDH1A1 2617/4885GAA 696/4885

“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.