SCHEMBL823146

SCHEMBL823146

CC(C)NC(=O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)NC(C)C)ccc(c5ccc(C(=O)O)c1c52)c43

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ ALOX5 P09917 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ XDH P47989 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ ACE2 Q9BYF1 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ MLYCD O95822 1/20 0.37
▸ PKM P14618 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL12180022 0.89 CYP1A2 (0.38) CYP1A2ALOX5GAAXDHALDH1A1
SCHEMBL30195119 0.85 MEN1 (0.54) CYP1A2ALDH1A1KDM4EHTTPKM
SCHEMBL18694713 0.82 TAS1R3 (0.47) CYP1A2ALDH1A1KDM4EHTTMEN1
SCHEMBL27201021 0.81 CYP1A2 (0.37) CYP1A2ALDH1A1KDM4EHTTACE2
SCHEMBL9511408 0.81 CYP1A2 (0.39) CYP1A2ALDH1A1KDM4EACE2MEN1
SCHEMBL30101142 0.80 CYP1A2 (0.54) CYP1A2GAAALDH1A1KMT2A
SCHEMBL11520918 0.80 CYP1A2 (0.54) CYP1A2GAAALDH1A1KMT2A
SCHEMBL2100060 0.80 CYP1A2 (0.54) CYP1A2GAAALDH1A1KMT2A
SCHEMBL823153 0.80 CYP1A2 (0.54) CYP1A2GAAALDH1A1KMT2A
SCHEMBL30141 0.79 CYP1A2 (0.78) CYP1A2GAAALDH1A1KDM4EACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530270-B2 Methods of preparing semiconductive compositions and devices EASTMAN KODAK COMPANY (US) 2013-09-10 — — US disclosed
US-8411489-B2 Semiconducting devices and methods of preparing EASTMAN KODAK COMPANY (US) 2013-04-02 — — US disclosed
US-8314265-B2 Aromatic amic acids or amic esters and compositions EASTMAN KODAK COMPANY (US) 2012-11-20 — — US disclosed
US-20110269967-A1 AROMATIC AMIC ACIDS OR AMIC ESTERS AND COMPOSITIONS BANK OF AMERICA, N.A., AS AGENT 2011-11-03 — — US disclosed
US-20110269966-A1 SEMICONDUCTING ARTICLES CITICORP NORTH AMERICA, INC., AS AGENT 2011-11-03 — — US disclosed
US-20110266523-A1 SEMICONDUCTING DEVICES AND METHODS OF PREPARING BANK OF AMERICA, N.A., AS AGENT 2011-11-03 — — US disclosed
US-20110269265-A1 METHODS OF PREPARING SEMICONDUCTIVE COMPOSITIONS AND DEVICES KODAK REALTY INC. 2011-11-03 — — 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-20110269966-A1 SEMICONDUCTING ARTICLES ALAD, PORCN, DDC CYP1A2 498/4885ALOX5 118/4885GAA 2404/4885
US-20110269967-A1 AROMATIC AMIC ACIDS OR AMIC ESTERS AND COMPOSITIONS DDC, AADAC, MYOC CYP1A2 155/4885ALOX5 1502/4885GAA 2124/4885

“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.

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