SCHEMBL29709262

SCHEMBL29709262

OB(O)c1cccc2ccc3ccccc3c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.48
ALDH1A1 P00352 6/20 0.48
CYP1A2 P05177 6/20 0.48
HPGD P15428 4/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 4/20 0.44
CYP2A6 P11509 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 3/20 0.44
HIF1A Q16665 2/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
RAB9A P51151 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPRT1 P00492 1/20 0.41
CYP1B1 Q16678 2/20 0.40
CYP1A1 P04798 1/20 0.40
MAOA P21397 2/20 0.39

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
SCHEMBL3790373 1.00 HSD17B10 (0.48) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL31156796 0.94 HSD17B10 (0.52) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL31286366 0.90 HSD17B10 (0.54) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL30959837 0.86 ALDH1A1 (0.48) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL1374119 0.86 ALDH1A1 (0.48) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL2469870 0.84 HSD17B10 (0.56) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL182202 0.82 CYP1A2 (0.44) HSD17B10ALDH1A1CYP1A2HPGDTHRB
SCHEMBL29391558 0.82 ALDH1A1 (0.48) HSD17B10ALDH1A1CYP1A2HPGDTSHR
SCHEMBL5601608 0.82 ALDH1A1 (0.48) HSD17B10ALDH1A1CYP1A2HPGDTSHR
SCHEMBL24488 0.82 ALDH1A1 (0.48) HSD17B10ALDH1A1CYP1A2HPGDTSHR

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-11355714-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2022-06-07 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-11355714-B2 Materials for organic electroluminescent devices SLCO4C1, SLCO2A1, SLCO2B1 HSD17B10 2582/4885ALDH1A1 1315/4885CYP1A2 1532/4885

“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.