SCHEMBL1859871

SCHEMBL1859871

CCc1ccc(CCC(CCCc2cccc(N)c2)C(=O)OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
FOLH1 Q04609 2/20 0.41
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
GRIK1 P39086 1/20 0.37
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
LPAR1 Q92633 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL1865607 0.92 MAOA (0.49) CYP19A1FOLH1MMP2MMP3MAOA
SCHEMBL12352716 0.87 CA1 (0.49) CYP19A1FOLH1MAOAMAOBCYP4F2
SCHEMBL1856107 0.83 FAAH (0.46) FOLH1MMP2MMP3
SCHEMBL1859888 0.83 MAOB (0.50) FOLH1MMP2MAOAMAOBGRIK1
SCHEMBL1859940 0.79 GRIK1 (0.51) FOLH1MMP2MMP3GRIK1
SCHEMBL1858681 0.77 CYP1A2 (0.51) FOLH1MMP2MMP3LPAR1KDM4E
SCHEMBL1861703 0.77 PTPN1 (0.45) MMP2MMP3KDM4EALDH1A1MTNR1A
SCHEMBL1858600 0.77 GRIK1 (0.54) FOLH1MMP2MMP3GRIK1
SCHEMBL9799795 0.76 CYP19A1 (0.63) CYP19A1MAOAMAOB
SCHEMBL1860059 0.76 MMP12 (0.53) MMP2MMP3GRIK1

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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS CYP19A1 282/4885FOLH1 1635/4885MMP2 2326/4885

“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.