SCHEMBL17616985

SCHEMBL17616985

CCCCCCc1ccc(Nc2cccc3c(Nc4ccc(CCCCCC)cc4)cccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 3/20 0.48
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTR2A P28223 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47
HSPE1 P61604 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL1705432 0.91 ALDH1A1 (0.54) UNGESR1ADRA2AADORA3TACR2
SCHEMBL110264 0.91 ALDH1A1 (0.54) UNGESR1ADRA2AADORA3TACR2
SCHEMBL294932 0.91 ALDH1A1 (0.54) UNGESR1ADRA2AADORA3TACR2
SCHEMBL293780 0.91 ALDH1A1 (0.54) UNGESR1ADRA2AADORA3TACR2
SCHEMBL29382146 0.91 ALDH1A1 (0.54) UNGESR1ADRA2AADORA3TACR2
SCHEMBL28857667 0.84 HPGD (0.57) KDM4EALDH1A1TP53CYP3A4HSD17B10
SCHEMBL2391508 0.82 ESR1 (0.61) UNGESR1ADRA2AADORA3TACR2
SCHEMBL9330410 0.82 ESR1 (0.61) UNGESR1ADRA2AADORA3TACR2
SCHEMBL9330419 0.82 ESR1 (0.61) UNGESR1ADRA2AADORA3TACR2
SCHEMBL294666 0.82 ESR1 (0.61) UNGESR1ADRA2AADORA3TACR2

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-20160087219-A1 LIGHT STABILIZER, ORGANIC PHOTOVOLTAIC CELL CONTAINING THE SAME AND METHOD FOR PREPARING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-03-24 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-20160087219-A1 LIGHT STABILIZER, ORGANIC PHOTOVOLTAIC CELL CONTAINING THE SAME AND METHOD FOR PREPARING THE SAME OR10J3, SOAT1, SOAT2 UNG 841/4885ESR1 2481/4885ADRA2A 4438/4885

“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.