SCHEMBL19082159

SCHEMBL19082159

c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4sc5cc6sc7ccc8ccccc8c7c6cc5c4c3)c3ccccc23)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
NQO2 P16083 2/20 0.33
NQO1 P15559 1/20 0.33
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 1/20 0.32
ESR2 Q92731 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
ALOX5 P09917 1/20 0.31
S1PR4 O95977 3/20 0.31
S1PR5 Q9H228 3/20 0.31
F9 P00740 2/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
FASN P49327 1/20 0.30
PDE9A O76083 1/20 0.30

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 1.00 HSD17B1 (0.36) HSD17B1HSD17B2NQO2NQO1CYP17A1
SCHEMBL19082301 0.96 HSD17B1 (0.37) HSD17B1HSD17B2NQO2NQO1CYP17A1
SCHEMBL17944278 0.95 HSD17B1 (0.40) HSD17B1HSD17B2NQO2NQO1CYP17A1
SCHEMBL17944375 0.95 HSD17B1 (0.40) HSD17B1HSD17B2NQO2NQO1CYP17A1
SCHEMBL19082123 0.95 NQO2 (0.36) HSD17B1HSD17B2NQO2NQO1ESR1
SCHEMBL19082171 0.94 HSD17B1 (0.35) HSD17B1HSD17B2NQO2NQO1CYP17A1
SCHEMBL19082247 0.94 CDK4 (0.34) HSD17B1HSD17B2NQO2NQO1ESR1
SCHEMBL19082337 0.94 ESR1 (0.35) HSD17B1HSD17B2NQO2NQO1ESR1
SCHEMBL19082275 0.91 CA12 (0.33) NQO2NQO1CDK4CCND1
SCHEMBL19082374 0.91 PIM1 (0.32) NQO2NQO1S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10553800-B2 Condensed cyclic compound and an organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-04 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
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 (2 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-10553800-B2 Condensed cyclic compound and an organic light-emitting device including the same CRY1, CRY2, CCNT1 HSD17B1 1146/4885HSD17B2 1158/4885NQO2 2592/4885
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 HSD17B1 1146/4885HSD17B2 1158/4885NQO2 2592/4885

“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.