SCHEMBL18328889

SCHEMBL18328889

Cc1ccc(C2=Cc3cc4c(cc3C2)-c2cc3c(cc2C4)-c2cc4c(cc2C3)C=C(c2ccc(C(F)(F)F)cc2)C4)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.38
KDM1A O60341 1/20 0.38
NPBWR1 P48145 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
KIF11 P52732 5/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
APOB P04114 1/20 0.32
MTTP P55157 1/20 0.32
PTGS2 P35354 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
SCHEMBL18328884 0.96 TDP2 (0.37) TDP2KDM1ANPBWR1ESR1ESR2
SCHEMBL18328888 0.88 ESR1 (0.40) TDP2KDM1ANPBWR1ESR1ESR2
SCHEMBL20705648 0.75 METAP1 (0.41) ESR1ESR2MAPTCYP11B1CYP11B2
SCHEMBL6285696 0.74 CYP11B1 (0.49) KIF11ALDH1A1CYP11B1CYP11B2PTGS2
SCHEMBL6939165 0.74 CYP11B1 (0.33) ESR1ESR2ALDH1A1MAPTCYP11B1
SCHEMBL2627018 0.73 ALDH1A1 (0.32) ALDH1A1CYP11B1CYP11B2
SCHEMBL28015474 0.69 TSHR (0.35) KIF11ALDH1A1MAPTCYP11B1CYP11B2
SCHEMBL13019482 0.69 KIF11 (0.61) NPBWR1KIF11ALDH1A1
SCHEMBL1044865 0.69 KIF11 (0.61) NPBWR1KIF11ALDH1A1
SCHEMBL17110032 0.69 KIF11 (0.61) NPBWR1KIF11ALDH1A1

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-20160372686-A1 ORGANIC COMPOUND AND ORGANIC THIN FILM AND ELECTRONIC DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-12-22 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-20160372686-A1 ORGANIC COMPOUND AND ORGANIC THIN FILM AND ELECTRONIC DEVICE OCIAD1, POU2F1, SLCO2A1 TDP2 2862/4885KDM1A 288/4885NPBWR1 4548/4885

“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.