SCHEMBL9976733

SCHEMBL9976733

Cc1ccc2c(-c3ccc4ccccc4c3)cc3c(cc(-c4ccc5ccccc5c4)c4ccc(C)nc43)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 4/20 0.40
CYP2C9 P11712 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DHFR P00374 1/20 0.40
CCR1 P32246 1/20 0.39
RAB9A P51151 1/20 0.39
CCR5 P51681 1/20 0.39
KDM4E B2RXH2 2/20 0.39
METAP2 P50579 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP11B1 P15538 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
SCHEMBL4400299 0.87 GSTP1 (0.47) GSTP1L3MBTL1MAPTCYP1A2CYP2C9
SCHEMBL9976756 0.82 CYP1A2 (0.46) GSTP1MAPTCYP1A2CYP2C9ALDH1A1
SCHEMBL23433920 0.80 CYP1A1 (0.46) L3MBTL1MAPTCYP1A2ALDH1A1HPGD
SCHEMBL9976734 0.79 CYP1A1 (0.47) GSTP1CYP1A2CYP2C9ALDH1A1HPGD
SCHEMBL23433387 0.79 CYP1A1 (0.45) MAPTCYP1A2ALDH1A1HPGDSMN1; SMN2
SCHEMBL23434113 0.78 CYP1A1 (0.44) MAPTCYP1A2ALDH1A1HPGDSMN1; SMN2
SCHEMBL14443281 0.77 HSP90AA1 (0.41) GSTP1L3MBTL1MAPTCYP1A2CYP2C9
SCHEMBL9976736 0.77 L3MBTL1 (0.46) L3MBTL1MAPTCYP1A2ALDH1A1HPGD
SCHEMBL23434419 0.77 CYP1A1 (0.43) MAPTCYP1A2ALDH1A1HPGDSMN1; SMN2
SCHEMBL9976757 0.76 CYP1A1 (0.47) GSTP1MAPTCYP1A2CYP2C9ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877354-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-11-04 US disclosed
US-8877354-B2 Heterocyclic compound and organic light-emitting device using the same CANON KABUSHIKI KAISHA (JP) 2014-11-04 US disclosed
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed
US-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-06-21 US disclosed
WO-2011024391-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME CANON KABUSHIKI KAISHA (JP) 2011-03-03 WO 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-20120153270-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE SAME ORC3, CYP1A1, CRY1 GSTP1 2992/4885L3MBTL1 1099/4885MAPT 3379/4885

“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.