SCHEMBL7557490

SCHEMBL7557490

C=C(C=O)CCOCc1cccc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
CHRM3 P20309 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
MAOB P27338 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
CMA1 P23946 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL7561923 0.81 MEN1 (0.49) IDO1AGXTCHRM3MEN1KMT2A
SCHEMBL6119882 0.79 TSHR (0.47) ALDH1A1
SCHEMBL2091873 0.78 IDO1 (0.61) IDO1AGXTCHRM3CHRM2CHRM1
SCHEMBL7564964 0.77 IDO1 (0.49) IDO1MAOBMMP1MMP12
SCHEMBL2970007 0.76 IDO1 (0.59) IDO1AGXTCHRM3CHRM2CHRM1
SCHEMBL3768643 0.75 IDO1 (0.71) IDO1AGXTCHRM3CHRM2CHRM1
SCHEMBL19049283 0.75 IDO1 (0.61) IDO1AGXTCHRM3CHRM2CHRM1
SCHEMBL6237989 0.74 IDO1 (0.49) IDO1AGXTMEN1KMT2AKDM4E
SCHEMBL10458644 0.73 IDO1 (0.59) IDO1AGXTCHRM3CHRM2CHRM1
SCHEMBL2956211 0.73 IDO1 (0.59) IDO1AGXTCHRM3CHRM2CHRM1

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-20020103381-A1 Method for the synthesis of pyrazolines CHEMRX ADVANCED TECHNOLOGIES, INC. 2002-08-01 US disclosed
WO-2001040193-A1 METHOD FOR THE SYNTHESIS OF PYRAZOLINES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-06-07 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-20020103381-A1 Method for the synthesis of pyrazolines CYP2F1, CYP2E1, CYP3A7 IDO1 859/4885AGXT 1400/4885CHRM3 2465/4885

“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.