SCHEMBL14700535

SCHEMBL14700535

c1ccc(-c2cc(-c3ccc4cc5c6c(-c7ccc8ccccc8c7)c7c(cc8c9ccccc9c9cccc7c98)c(-c7ccc8ccccc8c7)c6c6cccc(c4c3)c65)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ CTRC Q99895 1/20 0.33
▸ HSD17B1 P14061 2/20 0.33
▸ HSD17B2 P37059 2/20 0.33
▸ CYP1A2 P05177 3/20 0.32
▸ CYP2C19 P33261 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ ESR1 P03372 2/20 0.31
▸ ESR2 Q92731 2/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ GPR84 Q9NQS5 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL10015405 0.86 CYP1A1 (0.39) CYP1A1CYP1B1CTRCHSD17B1HSD17B2
SCHEMBL22652681 0.80 MEN1 (0.36) CYP1A1CYP1B1HSD17B1HSD17B2CYP1A2
SCHEMBL22652679 0.80 MEN1 (0.36) CYP1A1CYP1B1HSD17B1HSD17B2CYP1A2
SCHEMBL12179520 0.78 PARP1 (0.33) CYP1B1HIF1AHSD17B10ESR1ESR2
SCHEMBL14700527 0.78 DHODH (0.36) TP53HIF1AHSD17B10KDM4EALDH1A1
SCHEMBL25005766 0.76 MEN1 (0.36) CYP1A1CYP1B1CTRCHSD17B1HSD17B2
SCHEMBL25006625 0.76 MEN1 (0.36) CYP1A1CYP1B1CTRCHSD17B1HSD17B2
SCHEMBL12179545 0.75 FFAR4 (0.36) HSD17B1HSD17B2CYP1A2CYP2C19ESR1
SCHEMBL12179767 0.75 MEN1 (0.32) KDM4EALDH1A1MAPTHPGD
SCHEMBL22652706 0.75 KDM4E (0.30) KDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9005778-B2 Organic compound and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2015-04-14 — — US disclosed
US-9005778-B2 Organic compound and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2015-04-14 — — US disclosed
US-20130038515-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-14 — — US disclosed
US-20130038515-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-14 — — 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-20130038515-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TYR, CYP3A4, DDT CYP1A1 9/4885CYP1B1 24/4885CTRC 1733/4885

“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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