SCHEMBL17577233

SCHEMBL17577233

c1ccc(-c2ccc3c(c2)oc2c4ccc(-c5ccc(-c6ccc7ccccc7c6)cc5)cc4c4ccccc4c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 4/20 0.40
CYP1B1 Q16678 3/20 0.40
PGR P06401 1/20 0.39
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
CYP1A2 P05177 4/20 0.36
CYP19A1 P11511 3/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PDE5A O76074 1/20 0.36
ABCB1 P08183 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 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
SCHEMBL17577221 1.00 CYP1A1 (0.40) CYP1A1CYP1B1PGRESR1ESR2
SCHEMBL17577227 1.00 CYP1A1 (0.40) CYP1A1CYP1B1PGRESR1ESR2
SCHEMBL17577230 0.96 CYP1A1 (0.43) CYP1A1CYP1B1ESR1ESR2HSD17B1
SCHEMBL17577238 0.95 CYP1A1 (0.37) CYP1A1CYP1B1PGRESR1ESR2
SCHEMBL17577240 0.95 CYP1A1 (0.37) CYP1A1CYP1B1PGRESR1ESR2
SCHEMBL13508112 0.92 CYP1A1 (0.43) CYP1A1CYP1B1PGRESR1ESR2
SCHEMBL17577215 0.92 PLA2G2A (0.40) PGRESR1ESR2KDM4EALDH1A1
SCHEMBL17944658 0.89 PGR (0.39) CYP1A1CYP1B1PGRESR1ESR2
SCHEMBL17577218 0.89 PLA2G2A (0.40) PGRESR1ESR2KDM4EALDH1A1
SCHEMBL13507835 0.89 CYP1A1 (0.46) CYP1A1CYP1B1PGRESR1ESR2

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-20160072072-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-10 US disclosed
US-20160072072-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-10 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-20160072072-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNE2, CCNL2, CCNT1 CYP1A1 164/4885CYP1B1 267/4885PGR 1254/4885

“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.