SCHEMBL348431

SCHEMBL348431

OCC(O)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.42
CYP19A1 P11511 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
TSHR P16473 2/20 0.38
HTR3A P46098 1/20 0.38
NFKB1 P19838 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
IDO1 P14902 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL1516192 1.00 CYP3A4 (0.42) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL6480804 1.00 CYP3A4 (0.42) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL3822979 0.81 CYP19A1 (0.40) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL3183323 0.81 CYP19A1 (0.40) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL2382554 0.81 CYP19A1 (0.40) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL17438169 0.81 TSHR (0.48) CYP3A4KDM4ETAAR1TSHRHTR3A
SCHEMBL3851200 0.80 TAAR1 (0.60) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL6579025 0.79 CYP3A4 (0.38) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL25314645 0.78 LMNA (0.60) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL294423 0.78 LMNA (0.60) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117776852-A Method for adsorption separation of propylene and propane 浙江大学衢州研究院 2024-03-29 CN claimed
CN-108671893-B Metal organic framework material for separating ethylene and acetylene and method for separating ethylene and acetylene 浙江大学 2021-03-30 CN claimed
CN-107805260-B Metal complex, adsorbing material, separating material, and method for separating 1, 3-butadiene 昭和电工株式会社 2020-02-14 CN claimed
EP-1535913-B1 NOVEL QUATERNARY AMMONIUM COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2011-11-02 EP claimed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US claimed
CN-1678597-A Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORP (JP) 2005-10-05 CN claimed
EP-1535913-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2005-06-01 EP claimed
US-20050009805-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-13 US claimed
US-20250243161-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS SENSORIUM THERAPEUTICS, INC. 2025-07-31 US disclosed
US-12269800-B2 Delivery of therapeutic alkaloid compounds SENSORIUM THERAPEUTICS, INC. (US) 2025-04-08 US disclosed
US-20250051277-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS SENSORIUM THERAPEUTICS, INC. 2025-02-13 US disclosed
US-20240246910-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS SENSORIUM THERAPEUTICS, INC. 2024-07-25 US disclosed
US-11999694-B2 Delivery of therapeutic alkaloid compounds SENSORIUM THERAPEUTICS, INC. (US) 2024-06-04 US disclosed
US-20230159455-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS SENSORIUM THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 EP disclosed
CN-1678597-A Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORP (JP) 2005-10-05 CN disclosed
EP-1535913-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2005-06-01 EP disclosed
US-20050009805-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-13 US disclosed
CN-1083473-A New imidazolium compounds and pharmaceutical composition thereof SMITHKLINE BEECHAM CORP (US) 1994-03-09 CN 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-20250051277-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS PNMT, HNMT, NNMT CYP3A4 347/4885CYP19A1 1647/4885CYP17A1 1884/4885
US-20250243161-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS PNMT, HNMT, NNMT CYP3A4 347/4885CYP19A1 1647/4885CYP17A1 1884/4885
US-20230159455-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS PNMT, HNMT, NNMT CYP3A4 347/4885CYP19A1 1647/4885CYP17A1 1884/4885
US-20240246910-A1 DELIVERY OF THERAPEUTIC ALKALOID COMPOUNDS PNMT, HNMT, NNMT CYP3A4 347/4885CYP19A1 1647/4885CYP17A1 1884/4885
US-20050009805-A1 Novel quaternary ammonium compounds SLC10A1, GOT1, ACAT2 CYP3A4 1588/4885CYP19A1 1595/4885CYP17A1 1128/4885
US-12269800-B2 Delivery of therapeutic alkaloid compounds PNMT, HNMT, NNMT CYP3A4 347/4885CYP19A1 1647/4885CYP17A1 1884/4885
US-11999694-B2 Delivery of therapeutic alkaloid compounds PNMT, HNMT, NNMT CYP3A4 347/4885CYP19A1 1647/4885CYP17A1 1884/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 CYP3A4 562/4885CYP19A1 714/4885CYP17A1 954/4885

“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.