SCHEMBL19652647

SCHEMBL19652647

Cn1c2ccccc2c2cc(Cc3ccc4c(c3)c3cc5c(cc3n4C)sc3ccccc35)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ GPR3 P46089 2/20 0.42
▸ MAPT P10636 6/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ PABPC1 P11940 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ RORC P51449 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL19652651 0.95 HPGD (0.43) HPGDKDM4EALDH1A1HSD17B10GPR3
SCHEMBL21915328 0.93 GPR3 (0.46) HPGDKDM4EALDH1A1HSD17B10GPR3
SCHEMBL13183692 0.89 GPR3 (0.53) HPGDKDM4EALDH1A1HSD17B10GPR3
SCHEMBL25679679 0.87 GPR3 (0.52) HPGDKDM4EALDH1A1HSD17B10GPR3
SCHEMBL25998067 0.87 RORA (0.40) HPGDKDM4EALDH1A1HSD17B10GPR3
SCHEMBL19652598 0.84 GPR3 (0.55) HPGDKDM4EALDH1A1HSD17B10GPR3
SCHEMBL25684233 0.84 KDM4E (0.43) HPGDKDM4EALDH1A1HSD17B10GPR3
SCHEMBL25997406 0.84 RORA (0.46) HPGDKDM4EALDH1A1HSD17B10GPR3
SCHEMBL25684155 0.83 HPGD (0.45) HPGDKDM4EALDH1A1HSD17B10GPR3
SCHEMBL13183678 0.83 GPR3 (0.53) HPGDKDM4EALDH1A1HSD17B10GPR3

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-20170342057-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2017-11-30 — — 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-20170342057-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME TERT, TELO2, SOD1 HPGD 4247/4885KDM4E 2915/4885ALDH1A1 1177/4885

“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.

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