SCHEMBL3957281

SCHEMBL3957281

CCCCCCC(CCCCCC)NC(=N)c1cc(C(=O)O)c2c3ccc4c5c(ccc(c6ccc(C(=O)NC(CCCCCC)CCCCCC)c1c62)c53)C(=O)NC4=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.36
▸ TACR3 P29371 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL2867820 0.89 TAS1R3 (0.31) KDM4EALDH1A1HPGDTAS1R3TAS1R1
SCHEMBL2524404 0.84 ALOX5 (0.39) KDM4EALDH1A1HPGD
SCHEMBL1095842 0.84 ALOX5 (0.39) KDM4EALDH1A1HPGD
SCHEMBL5185602 0.80 CASP3 (0.35) CHEK1KDM4EALDH1A1HPGDALOX12
SCHEMBL1897757 0.78 ALDH1A1 (0.40) TACR3ALDH1A1TAS1R3TAS1R1
SCHEMBL31373087 0.78 ALDH1A1 (0.40) TACR3ALDH1A1TAS1R3TAS1R1
SCHEMBL2683123 0.78 CHEK1 (0.31) CHEK1
SCHEMBL6794605 0.77 MEN1 (0.37) KDM4EALDH1A1HPGDALOX12
SCHEMBL8975870 0.76 TAS1R3 (0.38) TACR3TAS1R3TAS1R1
SCHEMBL9511404 0.76 KDM4E (0.38) KDM4EALDH1A1HPGD

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-20090197802-A1 Analogues of GLP-1 SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-08-06 — — US claimed
WO-2009027952-A1 BENZOTERRYLENE DERIVATIVES SABIC INNOVATIVE PLASTICS IP B.V. (US) 2009-03-05 — — 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-20090197802-A1 Analogues of GLP-1 GLP1R, IAPP, GIPR CHEK1 4859/4885TACR3 403/4885KDM4E 3870/4885

“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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