SCHEMBL4936947

SCHEMBL4936947

[CH2]CC(C=CC)C=CCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
CYP3A4 P08684 4/20 0.38
ALDH1A1 P00352 4/20 0.34
TSHR P16473 4/20 0.34
CYP2D6 P10635 4/20 0.33
CYP1A2 P05177 4/20 0.33
CYP2C9 P11712 4/20 0.33
CYP2C19 P33261 4/20 0.33
PTGS1 P23219 1/20 0.33
PPARG P37231 1/20 0.33
OPRK1 P41145 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CETP P11597 4/20 0.33
THRB P10828 3/20 0.33
MAPT P10636 3/20 0.33
GMNN O75496 2/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL2839828 0.86 MEN1 (0.52) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL7995015 0.83 MEN1 (0.36) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL9080744 0.82 MEN1 (0.47) MEN1KMT2ACYP3A4ALDH1A1CYP2D6
SCHEMBL28921995 0.80 MEN1 (0.50) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL2118018 0.72 MEN1 (0.41) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL2118020 0.72 MEN1 (0.41) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL28972980 0.72 MEN1 (0.41) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL15547328 0.71 ABCG2 (0.39) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL5132095 0.71 FAAH (0.50) MEN1KMT2ACYP3A4ALDH1A1TSHR
SCHEMBL14481074 0.69 ABCG2 (0.41) MEN1KMT2ACYP3A4ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102137668-B Pyrazolopyridine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX S.A. (CH) 2016-05-18 CN disclosed
CN-103547587-B Transition metal complex, and organic light-emitting element, color-conversion light-emitting element, light-conversion light-emitting element, organic laser diode light-emitting element, dye laser, display device, lighting device, and electronic device using same SHARP CORP. (JP) 2016-05-04 CN disclosed
US-20080039319-A1 Fungicidal Mixtures and Novel Triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2008-02-14 US disclosed
CN-1798739-A 3-alkylidenehydrazino substituted heteroaryl compounds as thrombopoietin receptor activators NISSAN CHEMICAL IND LTD (JP) 2006-07-05 CN disclosed
WO-1991000856-A2 (1,2N) AND (3,2N)-CARBOCYCLIC-2-AMINO TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1991-01-24 WO 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-20080039319-A1 Fungicidal Mixtures and Novel Triazolopyrimidines ATIC, ARSA, AOC1 MEN1 1914/4885KMT2A 903/4885CYP3A4 1117/4885

“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.