SCHEMBL23925826

SCHEMBL23925826

Cc1c(-c2ccccc2)oc(=O)c(O)c1CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.49
BCL2 P10415 3/20 0.49
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BAD Q92934 1/20 0.40
KDM4E B2RXH2 5/20 0.38
MAPT P10636 3/20 0.38
ELANE P08246 1/20 0.38
NR4A2 P43354 2/20 0.37
LIPE Q05469 1/20 0.37
RXRA P19793 1/20 0.37
LMNA P02545 3/20 0.37
MAPK1 P28482 3/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 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
SCHEMBL23925729 0.84 BCL2 (0.45) MCL1BCL2CYP3A4CYP2C9BAD
SCHEMBL25144976 0.80 ELANE (0.44) MCL1CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL23925819 0.75 KDM4E (0.40) MCL1CYP3A4ALDH1A1CYP2C9TSHR
SCHEMBL23925906 0.74 CYP3A4 (0.46) CYP3A4ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL25144975 0.72 CYP3A4 (0.43) CYP3A4ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL25144838 0.70 ELANE (0.44) CYP3A4ALDH1A1KDM4EMAPTELANE
SCHEMBL23925781 0.68 MEN1 (0.39) CYP3A4ALDH1A1CYP2C9CYP2C19KDM4E
SCHEMBL28407424 0.67 BCL2 (0.44) MCL1BCL2ALDH1A1BADMAPT
SCHEMBL6954085 0.67 CYP3A4 (0.42) CYP3A4ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL17616678 0.66 ALDH1A1 (0.46) CYP3A4ALDH1A1CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2023-04-20 US disclosed
WO-2021211982-A2 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS OREGON STATE UNIVERSITY (US) 2021-10-21 WO 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-20230117370-A1 REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS CYP2B6, TYR, CYP2D6 MCL1 813/4885BCL2 1018/4885CYP3A4 43/4885

“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.