SCHEMBL19742352

SCHEMBL19742352

CCc1ccc(-c2ccc(-c3ccc(C)cc3)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
APP P05067 3/20 0.42
TP53 P04637 1/20 0.42
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
WRN Q14191 1/20 0.39
IKBKB O14920 1/20 0.39
IDO1 P14902 1/20 0.38
PTPN1 P18031 1/20 0.38
ESRRG P62508 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
EGFR P00533 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3280851 0.89 APP (0.46) SMN1; SMN2APPTP53ESR1ESR2
SCHEMBL9968693 0.84 APP (0.55) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL18015719 0.83 TP53 (0.56) APPTP53HSD17B1HSD17B2ESR1
SCHEMBL1105468 0.83 SMN1; SMN2 (0.47) SMN1; SMN2APPTP53WRNIKBKB
SCHEMBL2493917 0.82 IDO1 (0.48) SMN1; SMN2TP53IDO1ALDH1A1EGFR
SCHEMBL12575567 0.82 APP (0.52) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL17678539 0.82 APP (0.47) SMN1; SMN2APPTP53HSD17B1HSD17B2
SCHEMBL14003448 0.80 CYP3A4 (0.40) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL13197660 0.80 CYP3A4 (0.40) APPHSD17B1HSD17B2ESR1ESR2
SCHEMBL10332066 0.79 CYP2E1 (0.42) SMN1; SMN2APPHSD17B1HSD17B2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 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-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, NR2E3, LEF1 SMN1; SMN2 3563/4885APP 2592/4885TP53 3806/4885

“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.