SCHEMBL19082123

SCHEMBL19082123

c1ccc2cc(-c3c4ccccc4c(-c4ccc5sc6cc7sc8ccc9ccccc9c8c7cc6c5c4)c4ccccc34)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.36
NQO1 P15559 1/20 0.36
PDE9A O76083 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
ALOX5 P09917 2/20 0.32
GSTP1 P09211 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
CYP1A2 P05177 2/20 0.31
S1PR4 O95977 2/20 0.31
S1PR5 Q9H228 2/20 0.31
GPR84 Q9NQS5 1/20 0.31
IKBKB O14920 1/20 0.31
GPR3 P46089 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPT P10636 3/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 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
SCHEMBL19082303 0.95 HSD17B1 (0.36) NQO2NQO1PDE9ACYP1A1CYP1B1
SCHEMBL19082159 0.95 HSD17B1 (0.36) NQO2NQO1PDE9ACYP1A1CYP1B1
SCHEMBL17944327 0.94 NQO2 (0.39) NQO2NQO1PDE9ACYP1A1CYP1B1
SCHEMBL19082337 0.94 ESR1 (0.35) NQO2NQO1CYP1A1CYP1B1ESR1
SCHEMBL19082131 0.93 NQO2 (0.35) NQO2NQO1PDE9ACYP1A1CYP1B1
SCHEMBL19082090 0.92 NQO2 (0.36) NQO2NQO1CYP1A1CYP1B1ALOX5
SCHEMBL13303977 0.92 NQO2 (0.38) NQO2NQO1PDE9ACYP1A1CYP1B1
SCHEMBL19082301 0.91 HSD17B1 (0.37) NQO2NQO1PDE9ACYP1A1CYP1B1
SCHEMBL19082143 0.91 CDK4 (0.36) NQO2NQO1CYP1A1CYP1B1ALOX5
SCHEMBL10122729 0.90 NQO2 (0.37) NQO2NQO1PDE9ACYP1A1CYP1B1

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-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 US disclosed
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 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-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 NQO2 2592/4885NQO1 576/4885PDE9A 4104/4885

“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.