SCHEMBL9850531

SCHEMBL9850531

CCc1ccc(C(=O)CC(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PLK1 P53350 1/20 0.50
HPGD P15428 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP2D6 P10635 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44

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
SCHEMBL9441164 0.84 PTGS1 (0.52) ALDH1A1CYP2C9HPGDSMN1; SMN2MEN1
SCHEMBL16471727 0.82 TDP1 (0.41) ALDH1A1CYP2C9CYP2C19HPGDRAB9A
SCHEMBL2575817 0.82 LOXL2 (0.52) CYP2C9CYP2C19SMN1; SMN2KDM4EKMT2A
SCHEMBL507700 0.82 CES2 (0.48) ALDH1A1CYP2C9CYP2C19KMT2ATDP1
SCHEMBL17148448 0.81 KMT2A (0.52) ALDH1A1HPGDRAB9ASMN1; SMN2KMT2A
SCHEMBL15656585 0.81 TRPA1 (0.53) ALDH1A1CYP2C9CYP2C19PLK1HPGD
SCHEMBL11900204 0.79 CA1 (0.59) ALDH1A1HPGDRAB9ANPC1KDM4E
SCHEMBL11900206 0.79 TDP1 (0.53) ALDH1A1HPGDSMN1; SMN2KMT2ALMNA
SCHEMBL6781250 0.79 HSD17B3 (0.55) ALDH1A1RAB9ANPC1KDM4ETDP1
SCHEMBL507140 0.79 GSK3B (0.57) ALDH1A1HPGDRAB9ASMN1; SMN2NPC1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732038-B2 Conjugates comprising cell-binding agents and cytotoxic agents IMMUNOGEN, INC. (US) 2023-08-22 US disclosed
US-20160095938-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS IMMUNOGEN, INC. 2016-04-07 US disclosed
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 US disclosed
EP-1500657-B1 Substituted pyrazoles as P38 kinase inhibitors SEARLE LLC (US) 2007-09-19 EP disclosed
EP-0423524-A2 Propiophenone derivatives and their preparation and pharmaceutical use MARUHO Co., Ltd. (JP) 1991-04-24 EP 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 (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-11732038-B2 Conjugates comprising cell-binding agents and cytotoxic agents PCNA, EPCAM, MKI67 ALDH1A1 96/4885CYP2C9 3583/4885CYP2C19 3692/4885
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR1A, HTR2A ALDH1A1 397/4885CYP2C9 414/4885CYP2C19 211/4885
US-20160095938-A1 CONJUGATES COMPRISING CELL-BINDING AGENTS AND CYTOTOXIC AGENTS PCNA, EPCAM, MKI67 ALDH1A1 96/4885CYP2C9 3583/4885CYP2C19 3692/4885

“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.