SCHEMBL578310

SCHEMBL578310

CCOP(=O)(Cc1ccc(C#N)cc1)OCC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.50
LOXL2 Q9Y4K0 2/20 0.43
TSHR P16473 2/20 0.42
RAB9A P51151 1/20 0.40
NPY5R Q15761 1/20 0.40
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 2/20 0.37
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
CYP19A1 P11511 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36

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
SCHEMBL3375825 0.85 TSHR (0.50) TSHRNPY5RCCNT1CDK9
SCHEMBL11744193 0.85 CYP2A6 (0.48) CYP2A6LOXL2TSHRRAB9AHSD17B10
SCHEMBL29572432 0.85 CYP2A6 (0.48) CYP2A6LOXL2TSHRRAB9AHSD17B10
SCHEMBL9005247 0.84 TSHR (0.43) TSHRNPY5RCCNT1CDK9
SCHEMBL9500191 0.84 MLYCD (0.51) RAB9ACYP11B1CYP11B2ALDH1A1
SCHEMBL27911911 0.83 TSHR (0.48) CYP2A6LOXL2TSHRRAB9AHSD17B10
SCHEMBL10924475 0.83 CYP2A6 (0.47) CYP2A6LOXL2TSHRRAB9AHSD17B10
SCHEMBL5718103 0.82 CYP2A6 (0.48) CYP2A6LOXL2TSHRRAB9AHSD17B10
SCHEMBL29732415 0.81 GLA (0.60) MAOBGLACCNT1CDK9
SCHEMBL1680699 0.81 GLA (0.60) MAOBGLACCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118434796-A Composition for polyurethane foam, foam prepared therefrom and method thereof 迈图高新材料公司 2024-08-02 CN claimed
US-20240400793-A1 COMPOSITION FOR POLYURETHANE FOAM, FOAM PREPARED THEREFROM AND A METHOD THEREOF MOMENTIVE PERFORMANCE MATERIALS INC. 2024-12-05 US disclosed
US-12122748-B2 Optical data communication system comprising para-phenylenevinylenes and specific para-phenylenevinylenes BASF SE (DE) 2024-10-22 US disclosed
EP-3802490-B1 OPTICAL DATA COMMUNICATION SYSTEM COMPRISING PARA-PHENYLENEVINYLENES AND SPECIFIC PARA-PHENYLENEVINYLENES BASF SE (DE) 2024-09-18 EP disclosed
CN-118434796-A Composition for polyurethane foam, foam prepared therefrom and method thereof 迈图高新材料公司 2024-08-02 CN disclosed
CN-112272662-B Optical data communication system comprising p-phenylenevinylene and specific p-phenylenevinylene 巴斯夫欧洲公司 2024-07-16 CN disclosed
EP-4396271-A1 COMPOSITION FOR POLYURETHANE FOAM, FOAM PREPARED THEREFROM AND A METHOD THEREOF Momentive Performance Materials Inc. (US) 2024-07-10 EP disclosed
US-20230391727-A1 ANALOGUES OF PENTAMIDINE AND METHODS FOR TREATING INFECTIONS AURANSA INC. 2023-12-07 US disclosed
CN-116925032-A 1, 4-benzodioxane stilbene lignan compound, preparation method thereof and application thereof in resisting tumor 北京大学 2023-10-24 CN disclosed
EP-4232014-A1 ANALOGUES OF PENTAMIDINE AND METHODS FOR TREATING INFECTIONS Auransa Inc. (US) 2023-08-30 EP disclosed
EP-0144640-A1 Distyrene compounds BAYER AG (DE) 1985-06-19 EP disclosed
EP-0137452-A1 Light-sensitive compounds containing trichloromethyl groups, process for their preparation and light-sensitive mixture containing these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1985-04-17 EP disclosed
US-4510311-A Water-insoluble azolystyryl optical brighteners BAYER AKTIENGESELLSCHAFT (DE) 1985-04-09 US disclosed
US-4464284-A DICYANO-STYRYL BENZENES BASF AKTIENGESELLSCHAFT (DE) 1984-08-07 US disclosed
EP-0084667-A2 Phenylethylene derivatives, their preparation and use as medicines BASF Aktiengesellschaft (DE) 1983-08-03 EP disclosed
US-4380514-A FROM TEREPHTHACALDEHYDE AND A PHOSPHONATE COMPOUND BASF AKTIENGESELLSCHAFT (DE) 1983-04-19 US disclosed
US-4233440-A OPTICAL BRIGHTENERS BAYER AKTIENGESELLSCHAFT (DE) 1980-11-11 US disclosed
US-4220760-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DE) 1980-09-02 US disclosed
US-4016195-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3957846-A OPTICAL BRIGHTENERS, LACQUERS, SYNTHETIC FIBERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-05-18 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-12122748-B2 Optical data communication system comprising para-phenylenevinylenes and specific para-phenylenevinylenes OR10J3, OXER1, CDC73 CYP2A6 1700/4885LOXL2 1725/4885TSHR 3262/4885
US-20230391727-A1 ANALOGUES OF PENTAMIDINE AND METHODS FOR TREATING INFECTIONS ASNS, DPM1, PNP CYP2A6 4359/4885LOXL2 4134/4885TSHR 3038/4885

“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.