SCHEMBL19082298

SCHEMBL19082298

c1cc(-c2ccc3sc4c(ccc5sc6ccc7ccccc7c6c54)c3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
CYP1A1 P04798 4/20 0.34
CYP1B1 Q16678 4/20 0.34
CYP1A2 P05177 3/20 0.32
LIMK1 P53667 1/20 0.32
F9 P00740 3/20 0.32
NQO2 P16083 2/20 0.32
NQO1 P15559 1/20 0.32
ALOX5 P09917 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
ESR1 P03372 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
SCHEMBL19082335 0.94 F9 (0.35) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL19082195 0.94 F9 (0.38) CYP1A1CYP1B1CYP1A2LIMK1F9
SCHEMBL19082287 0.94 ESR1 (0.34) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL19082261 0.94 CYP1A1 (0.38) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL19082307 0.93 HSD17B1 (0.35) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL19082163 0.93 CYP1A1 (0.41) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL17945065 0.93 HSD17B1 (0.36) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL19082156 0.93 HSD17B1 (0.36) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL17944609 0.93 HSD17B1 (0.36) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2
SCHEMBL19082164 0.93 HSD17B1 (0.36) HSD17B1HSD17B2CYP1A1CYP1B1CYP1A2

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 1158/4885CYP1A1 184/4885
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 HSD17B1 1146/4885HSD17B2 1158/4885CYP1A1 184/4885

“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.