SCHEMBL19082247

SCHEMBL19082247

c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5sc6cc7sc8ccc9ccccc9c8c7cc6c5c4)c3)c3ccccc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
NQO2 P16083 2/20 0.34
CYP1A1 P04798 2/20 0.34
NQO1 P15559 1/20 0.34
CYP1B1 Q16678 1/20 0.34
ESR1 P03372 3/20 0.32
ESR2 Q92731 3/20 0.32
LIMK1 P53667 1/20 0.32
CYP1A2 P05177 2/20 0.32
F9 P00740 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B1 P14061 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B2 P37059 1/20 0.32
FYN P06241 1/20 0.32
MAPK3 P27361 1/20 0.32

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
SCHEMBL19082231 0.96 NQO2 (0.35) CDK4CCND1NQO2CYP1A1NQO1
SCHEMBL19082090 0.96 NQO2 (0.36) CDK4CCND1NQO2CYP1A1NQO1
SCHEMBL19082337 0.95 ESR1 (0.35) CDK4CCND1NQO2CYP1A1NQO1
SCHEMBL19082209 0.95 CDK4 (0.39) CDK4CCND1NQO2CYP1A1NQO1
SCHEMBL19082143 0.95 CDK4 (0.36) CDK4CCND1NQO2CYP1A1NQO1
SCHEMBL17944773 0.95 NQO2 (0.37) CDK4CCND1NQO2CYP1A1NQO1
SCHEMBL19082303 0.94 HSD17B1 (0.36) CDK4CCND1NQO2CYP1A1NQO1
SCHEMBL19082159 0.94 HSD17B1 (0.36) CDK4CCND1NQO2CYP1A1NQO1
SCHEMBL18904991 0.94 CDK4 (0.36) CDK4CCND1NQO2CYP1A1NQO1
SCHEMBL19082085 0.92 NQO2 (0.37) CDK4CCND1NQO2CYP1A1NQO1

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 CDK4 97/4885CCND1 15/4885NQO2 2592/4885
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 CDK4 97/4885CCND1 15/4885NQO2 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.