SCHEMBL25968426

SCHEMBL25968426

CCC(C)(C)Cc1c(CCC(C)(C)C)c2cc(O)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.44
PTGES2 Q9H7Z7 11/20 0.43
PLA2G2A P14555 3/20 0.43
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
MAPT P10636 3/20 0.41
CYP2C9 P11712 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
PTGES O14684 3/20 0.40
ALOX5 P09917 4/20 0.38
PRKCG P05129 1/20 0.38
PIM1 P11309 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38

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
SCHEMBL23270725 0.92 ALOX5AP (0.44) ALOX5APPTGES2PLA2G2ACYP1A2CYP3A4
SCHEMBL25968436 0.86 MEN1 (0.49) ALOX5APPLA2G2ACYP1A2CYP3A4MAPT
SCHEMBL25968434 0.80 PTGES2 (0.60) ALOX5APPTGES2PLA2G2ACYP1A2CYP3A4
SCHEMBL23641197 0.79 MEN1 (0.51) ALOX5APPTGES2PLA2G2ACYP1A2CYP3A4
SCHEMBL8561632 0.73 PTGES2 (0.58) ALOX5APPTGES2PLA2G2ACYP1A2CYP3A4
SCHEMBL23270736 0.72 PTGES2 (0.60) ALOX5APPTGES2CYP1A2CYP3A4MAPT
SCHEMBL25967886 0.70 ALOX5AP (0.60) ALOX5APCYP3A4CYP2C9ALOX5PTGS2
SCHEMBL25968433 0.70 PTGES2 (0.60) ALOX5APPTGES2CYP1A2CYP3A4MAPT
SCHEMBL9434490 0.70 PTGES2 (0.78) ALOX5APPTGES2CYP1A2CYP3A4MAPT
SCHEMBL25968431 0.69 PTGES2 (0.64) ALOX5APPTGES2CYP1A2CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 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 (1 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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO ALOX5AP 3783/4885PTGES2 1332/4885PLA2G2A 2277/4885

“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.