SCHEMBL6730280

SCHEMBL6730280

[CH2]C(C)(CCC)CNC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.37
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
EPHX1 P07099 3/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL6730282 0.80 ALDH1A1 (0.38) KDM4CALDH1A1CYP2D6CYP2C19EPHX1
SCHEMBL2214465 0.78 LMNA (0.41) KDM4CALDH1A1CYP2D6CYP2C19EPHX1
SCHEMBL2214528 0.72 LMNA (0.36) KDM4CALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL10426442 0.71 ALDH1A1 (0.35) KDM4CALDH1A1EPHX1
SCHEMBL1934610 0.69
SCHEMBL6729276 0.69 SMN1; SMN2 (0.38) KDM4CALDH1A1CYP2D6CYP2C19EPHX1
SCHEMBL631310 0.68
Hydrochloric Acid SCHEMBL11159957 0.67 CYP2D6 (0.40) KDM4CALDH1A1CYP2D6CYP2C19HSD17B10
SCHEMBL27915791 0.67
SCHEMBL5273019 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186170-A1 Benzofuran derivatives, pharmaceutical composition containing the same, and a process for the preparation of the active ingredient EGIS GYOGYSZERGYAR (HU) 2004-09-23 US disclosed
EP-0500136-B1 1,2,4-Triazolo[1,5-a]pyrimidine derivatives, a process for preparing them as well as medicaments containing them and the use of them EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1996-05-15 EP disclosed
EP-0500136-A1 1,2,4-Triazolo[1,5-a]pyrimidine derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR (HU) 1992-08-26 EP 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-20040186170-A1 Benzofuran derivatives, pharmaceutical composition containing the same, and a process for the preparation of the active ingredient CYP2F1, CYP3A4, CYP2S1 KDM4C 1281/4885ALDH1A1 81/4885CYP2D6 12/4885

“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.