SCHEMBL4397710

SCHEMBL4397710

OB(O)c1c(-c2cc3ccccc3c3ccccc23)ccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
HIF1A Q16665 3/20 0.47
CYP1B1 Q16678 1/20 0.47
HPRT1 P00492 3/20 0.45
TSHR P16473 2/20 0.43
CYP2A6 P11509 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPM4 Q8TD43 1/20 0.42
CYP11B1 P15538 1/20 0.41
HPGD P15428 4/20 0.39
MAPK1 P28482 2/20 0.39
CASP1 P29466 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
PAX8 Q06710 1/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 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
SCHEMBL2510601 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL28575411 0.78 ALDH1A1 (0.42) ALDH1A1HSD17B10HIF1ACYP1B1TSHR
SCHEMBL2789059 0.78 ALDH1A1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL29690415 0.78 ALDH1A1 (0.56) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL2392866 0.78 MAPT (0.43) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL23621117 0.77 GSTP1 (0.47) CYP1B1CYP11B1CYP1A2CYP2C9CYP2C19
SCHEMBL31590911 0.77 GSTP1 (0.47) CYP1B1CYP11B1CYP1A2CYP2C9CYP2C19
SCHEMBL1104849 0.76 TRPM4 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL30035236 0.76 TRPM4 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1
SCHEMBL2165085 0.76 TRPM4 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1HPRT1

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-8330350-B2 Organic electroluminescence device and material for organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2012-12-11 US disclosed
US-20090009065-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2009-01-08 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-20090009065-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, RFT1, RAE1 ALDH1A1 261/4885HSD17B10 2037/4885HIF1A 3137/4885

“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.