SCHEMBL25748522

SCHEMBL25748522

C/C=C\c1c(/C=C\C)c(C)c2ccccc2c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
TSHR P16473 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP2A6 P11509 4/20 0.34
AHR P35869 1/20 0.33
APLNR P35414 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CXCR5 P32302 1/20 0.32
ALDH2 P05091 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL19261611 0.91 CYP1A2 (0.35) CYP1A2TSHRL3MBTL1CYP3A4HPGD
SCHEMBL19996919 0.86 CXCR5 (0.30) CXCR5
SCHEMBL20858549 0.85 CYP1A2 (0.38) CYP1A2TSHRL3MBTL1CYP3A4HPGD
SCHEMBL29768240 0.84 CYP1A2 (0.33) CYP1A2TSHRL3MBTL1CYP3A4HPGD
SCHEMBL22940624 0.79 CYP1A2 (0.35) CYP1A2TSHRCYP3A4MAPK1HSD17B10
SCHEMBL18746416 0.79 PADI4 (0.39) CYP1A2TSHRCYP3A4HPGDMAPK1
SCHEMBL22180690 0.79
SCHEMBL24609459 0.79 KDM4E (0.30) CYP1A2
SCHEMBL21363360 0.79 MAOA (0.33) ESR1ESR2
SCHEMBL24917385 0.78 CYP1A2 (0.44) CYP1A2TSHRL3MBTL1CYP3A4HPGD

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-11814395-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-14 US disclosed
US-11691957-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-04 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-11814395-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CRY2, MCM4 CYP1A2 2378/4885TSHR 4661/4885L3MBTL1 1626/4885
US-11691957-B2 Condensed cyclic compound and organic light-emitting device including the same CRY1, CCNT1, CCNA1 CYP1A2 824/4885TSHR 3200/4885L3MBTL1 199/4885

“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.