SCHEMBL13614283

SCHEMBL13614283

CC1COc2ccc(C=O)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
TDP1 Q9NUW8 3/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.34
PTGS2 P35354 2/20 0.33
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 1/20 0.33
HCRTR2 O43614 1/20 0.33
ALDH1A3 P47895 3/20 0.33

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
SCHEMBL6184006 0.77 HTR2A (0.40) ALDH1A1HSD17B10TSHRCYP3A4KDM4E
SCHEMBL7432373 0.75 ALDH1A1 (0.41) ALDH1A1TDP1HSD17B10TSHRPTGS2
SCHEMBL25351523 0.75 ALDH1A1 (0.56) ALDH1A1TDP1HSD17B10TSHRPTGS2
SCHEMBL2919434 0.75 ALDH1A1 (0.56) ALDH1A1TDP1HSD17B10TSHRPTGS2
SCHEMBL30715295 0.75 ALDH1A1 (0.56) ALDH1A1TDP1HSD17B10TSHRPTGS2
SCHEMBL30438781 0.75 ALDH1A1 (0.56) ALDH1A1TDP1HSD17B10TSHRPTGS2
SCHEMBL7432587 0.74 PPARG (0.49)
SCHEMBL7920992 0.74 HCRTR2 (0.45) ALDH1A1HSD17B10MAPTHCRTR2TOP2A
SCHEMBL6181170 0.73 HTR2A (0.30) HTR2AHCRTR2
SCHEMBL16649032 0.73 DRD3 (0.49) ALDH1A1HSD17B10TSHRCYP3A4KDM4E

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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 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 (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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX ALDH1A1 716/4885TDP1 1837/4885HSD17B10 2275/4885

“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.