SCHEMBL14701776

SCHEMBL14701776

Nc1c(C(=O)O)cc2c3c(cccc13)-c1cc(-c3ccccc3-c3ccccc3)ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.44
MCL1 Q07820 4/20 0.42
ACMSD Q8TDX5 1/20 0.42
HNF4A P41235 1/20 0.40
TYMS P04818 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 2/20 0.39
APOBEC3A P31941 1/20 0.39
CASP6 P55212 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.38
MEN1 O00255 4/20 0.38

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
SCHEMBL12179670 0.96 HKDC1 (0.42) HKDC1MCL1ACMSDHNF4ATYMS
SCHEMBL10046313 0.88 HKDC1 (0.56) HKDC1MCL1ACMSDTYMSCRHBP
SCHEMBL14701788 0.85 MYC (0.43) HKDC1MCL1ACMSDTYMSCRHBP
SCHEMBL12179577 0.83 HNF4A (0.46) HKDC1MCL1ACMSDHNF4ATYMS
SCHEMBL12179718 0.80 HKDC1 (0.48) HKDC1CRHBPCRHR2KEAP1NFE2L2
SCHEMBL14701820 0.80 HKDC1 (0.43) HKDC1MCL1ACMSDTYMSCRHBP
SCHEMBL14701790 0.79 RXRB (0.40) HKDC1MCL1TYMSALDH1A1KDM4E
SCHEMBL14701827 0.79 HKDC1 (0.40) HKDC1MCL1TYMSCRHBPCRHR2
SCHEMBL10015441 0.78 KEAP1 (0.68) HKDC1CRHBPCRHR2KEAP1NFE2L2
SCHEMBL14700609 0.77 HKDC1 (0.45) HKDC1CRHBPCRHR2KEAP1NFE2L2

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-9005778-B2 Organic compound and organic light-emitting device including the same CANON KABUSHIKI KAISHA (JP) 2015-04-14 US disclosed
US-20130038515-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-14 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-20130038515-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TYR, CYP3A4, DDT HKDC1 2302/4885MCL1 3674/4885ACMSD 407/4885

“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.