SCHEMBL553680

SCHEMBL553680

CC(=O)Nc1ccccc1C=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.62
CYP2C9 P11712 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.47
HTT P42858 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL30168159 1.00 CYP2C19 (0.62) CYP2C19CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL3130794 0.84 CYP2C19 (0.62) CYP2C19CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL13936400 0.83 NPC1 (0.52) CYP2C19CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL13812018 0.83 CYP2C19 (0.49) CYP2C19CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL11108522 0.83 ALDH1A1 (0.52) CYP2C19CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL172214 0.82 CYP2C19 (0.65) CYP2C19CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL5950645 0.82 CYP2C19 (0.60) CYP2C19CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL21177616 0.82 ALDH1A1 (0.48) CYP2C19CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL5555579 0.82 CYP2C19 (0.55) CYP2C19CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL6489938 0.82 CYP2C19 (0.47) CYP2C19CYP2C9CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122010964-A 4-Hydroxycoumarin derivative X77 and application thereof in preparation of medicines for treating or preventing carp herpesvirus infection 中国水产科学研究院长江水产研究所 2026-05-12 CN claimed
CN-122010890-A Organic fluorescent probe for detecting hypoxia, preparation method and application 内蒙古大学 2026-05-12 CN claimed
CN-120136841-A PROTAC compound for targeted degradation of SPT5-Pol II, preparation method and application 苏州系统医学研究所 2025-06-13 CN claimed
CN-119899122-A Cyclobutylmethyl and phenyl substituted curcumin derivative and preparation method and application thereof 常州大学 2025-04-29 CN claimed
CN-119118873-A Environment-sensitive fluorescent probe for detecting human serum albumin and preparation and application thereof 陕西理工大学 2024-12-13 CN claimed
CN-116120182-A Curcumin derivative, synthesis method thereof and application thereof in antiandrogen receptor 常州大学 2023-05-16 CN claimed
CN-113321625-B Synthetic method for preparing benzoxazole compound from catechol compound, ammonium acetate and aldehyde compound 湖南第一师范学院 2022-05-24 CN claimed
CN-113321625-A Synthetic method for preparing benzoxazole compound from catechol compound, ammonium acetate and aldehyde compound 湖南第一师范学院 2021-08-31 CN claimed
CN-110642785-A Preparation method of ethyl quinolinecarboxylate 严学文 2020-01-03 CN claimed
US-20120035224-A1 Betulin derived compounds as anti-feedants for plant pests VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2012-02-09 US claimed
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS Valition teknillinen tutikimuskeskus (FI) 2010-10-28 US claimed
US-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-08-05 US claimed
US-20100190795-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS VALTION TEKNILLINEN TUTKIMUSKESKUS (FI) 2010-07-29 US claimed
EP-1689703-A1 RESOLUTION OF 3-AMINO ALKYLNITRILES Pfizer Products Inc. (US) 2006-08-16 EP claimed
US-7026345-B2 Resolution of 3-amino alkylnitriles PFIZER INC. (US) 2006-04-11 US claimed
US-20050107453-A1 Resolution of 3-amino alkylnitriles PFIZER INC. 2005-05-19 US claimed
WO-2005040097-A1 RESOLUTION OF 3-AMINO ALKYLNITRILES PFIZER PRODUCTS INC. (US) 2005-05-06 WO claimed
US-6410540-B1 HEART AND KIDNEY DISEASES; ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-06-25 US claimed
EP-0599688-A1 Process for O-alkylation of phenolic compounds RHONE-POULENC CHIMIE (FR) 1994-06-01 EP claimed
US-4727079-A Brain-specific dopaminergic activity involving dihydropyridine carboxamides, dihydroquinoline and isoquinoline carboxamides UNIVERSITY OF FLORIDA (US) 1988-02-23 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 (5 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-20050107453-A1 Resolution of 3-amino alkylnitriles AADAT, AANAT, AAAS CYP2C19 3725/4885CYP2C9 2456/4885CYP1A2 2875/4885
US-20120035224-A1 Betulin derived compounds as anti-feedants for plant pests BET1, BTF3, BROX CYP2C19 4881/4885CYP2C9 4865/4885CYP1A2 4441/4885
US-20100196290-A1 COMPOSITIONS COMPRISING BETULONIC ACID BET1, PGGT1B, RABGGTB CYP2C19 450/4885CYP2C9 270/4885CYP1A2 993/4885
US-20100273801-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS BET1, CUTA, BECN1 CYP2C19 2787/4885CYP2C9 2858/4885CYP1A2 2714/4885
US-20100190795-A1 BETULIN DERIVED COMPOUNDS USEFUL AS ANTIPROTOZOAL AGENTS BET1, BECN1, PGGT1B CYP2C19 2652/4885CYP2C9 2544/4885CYP1A2 1613/4885

“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.