SCHEMBL4342018

SCHEMBL4342018

COc1cc(C)cc(C)c1.OBO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 2/20 0.48
ACHE P22303 3/20 0.46
PTPN1 P18031 2/20 0.44
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
ELANE P08246 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 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
SCHEMBL145855 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4ACHEPTPN1TSHR
SCHEMBL29587173 0.86 ALDH1A1 (0.59) ALDH1A1CYP3A4ACHEPTPN1TSHR
SCHEMBL12501 0.83 ALDH1A1 (0.73) ALDH1A1CYP3A4ACHEPTPN1TSHR
SCHEMBL2373503 0.80 ALDH1A1 (0.56) ALDH1A1CYP3A4ACHETSHRMAPK1
SCHEMBL31507600 0.77 PTPN1 (0.67) ALDH1A1CYP3A4ACHEPTPN1MAPK1
SCHEMBL296714 0.77 PTPN1 (0.67) ALDH1A1CYP3A4ACHEPTPN1MAPK1
SCHEMBL879948 0.77 ALDH1A1 (0.60) ALDH1A1CYP3A4ACHEPTPN1TSHR
SCHEMBL16707188 0.77 ALDH1A1 (0.48) ALDH1A1CYP3A4ACHEPTPN1TSHR
SCHEMBL3217844 0.77 ACHE (0.83) ALDH1A1CYP3A4ACHETSHRKDM4E
SCHEMBL2952197 0.76 ALDH1A1 (0.53) ALDH1A1CYP3A4ACHEPTPN1CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021327-A2 ANTIDIABETIC BICYCLIC COMPOUNDS Merck & Co., Inc. (US) 2009-02-11 EP disclosed
US-7442808-B2 e.g. 3-(indan-1-yloxy)-8-(oxazolidin-2,4-dion-5-yl)-5,6,7,8-tetrahydroquinoline; with other active ingredients; agonists of G-protein coupled receptor 40 (GPR40); antidiabetic, hypoglycemic agent; non-insulin dependent diabetes, obesity, hyperlipemia MERCK & CO., INC. (US) 2008-10-28 US disclosed
WO-2007136573-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
US-20070265332-A1 Antidiabetic bicyclic compounds MERCK SHARP & DOHME LLC 2007-11-15 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-20070265332-A1 Antidiabetic bicyclic compounds GPR119, GPR65, FFAR4 ALDH1A1 2576/4885CYP3A4 227/4885ACHE 3550/4885

“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.