SCHEMBL10909378

SCHEMBL10909378

CC(C)=CCc1cc(C)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.62
HPGD P15428 2/20 0.57
PTGS1 P23219 2/20 0.57
PTGS2 P35354 2/20 0.57
ALDH1A1 P00352 1/20 0.57
AKR1B10 O60218 1/20 0.54
AKR1B1 P15121 1/20 0.54
AKR1C3 P42330 1/20 0.54
AMY1A P0DUB6 1/20 0.52
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PTPN1 P18031 7/20 0.49
SRC P12931 1/20 0.45

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
SCHEMBL24804434 0.85 HTT (0.50) HTTHPGDPTGS1PTGS2ALDH1A1
SCHEMBL8024047 0.84 BACE1 (0.62) PTPN1MAOB
SCHEMBL10871362 0.84 CA12 (0.49) HTTHPGDPTGS1PTGS2ALDH1A1
SCHEMBL10871358 0.84 CA12 (0.49) HTTHPGDPTGS1PTGS2ALDH1A1
Prenylhydroquinone SCHEMBL7036748 0.82 HTT (0.64) HTTHPGDPTGS1PTGS2ALDH1A1
SCHEMBL10907779 0.81 HTT (0.62) HTTHPGDPTGS1PTGS2ALDH1A1
SCHEMBL13982775 0.81 HTT (0.47) HTTHPGDPTGS1PTGS2ALDH1A1
SCHEMBL13284802 0.80 AMY1A (0.55) HTTHPGDALDH1A1AMY1AMEN1
SCHEMBL21363082 0.79 HTT (0.41) HTTHPGDPTGS1PTGS2ALDH1A1
SCHEMBL10908436 0.79 HTT (0.60) HTTHPGDPTGS1PTGS2ALDH1A1

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
WO-2023197248-A1 BIOLOGICAL AGENT AND METHOD FOR PROMOTING ADIPOGENIC DIFFERENTIATION OF MESENCHYMAL STEM CELLS AND LIPOGENESIS OF ADIPOCYTE PRECURSOR CELLS 厦门千夫海洋生物科技有限公司 2023-10-19 WO disclosed
WO-2023197249-A1 DRUG FOR IMPROVING SPERM MOTILITY AND INHIBITING SPERM DFI AND METHOD FOR IMPROVING SPERM MOTILITY AND INHIBITING SPERM DFI 厦门千夫海洋生物科技有限公司 2023-10-19 WO disclosed
WO-2019178119-A1 AMINOCOUMARIN COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-09-19 WO disclosed
US-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS UNIVERSITY OF KANSAS (US) 2016-10-06 US disclosed
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-22 US disclosed
US-4594460-A Process for selective C-alkylation of phenols RHONE-POULENC SANTE (FR) 1986-06-10 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 (2 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-20160289217-A1 COUMARIN BASED HSP90 INHIBITORS WITH UREA AND ETHER SUBSTITUENTS HSP90B1, HSP90AA1, HSP90AB1 HTT 530/4885HPGD 711/4885PTGS1 1340/4885
US-20160272584-A1 BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HTT 285/4885HPGD 812/4885PTGS1 1319/4885

“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.