SCHEMBL1860489

SCHEMBL1860489

COC(=O)C(CCCc1ccccc1)CCc1ccc(OCc2cccnc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 8/20 0.51
ACACB O00763 1/20 0.48
MMP13 P45452 1/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 1/20 0.47
ADAMTS4 O75173 1/20 0.46
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
LTA4H P09960 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
EPOR P19235 1/20 0.45

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
SCHEMBL1857509 0.89 F2 (0.50) ACACBRAB9AMMP2MMP3LTA4H
SCHEMBL1856424 0.89 GPR132 (0.54) GPR132ACACBMMP13MAPK1MEN1
SCHEMBL1865673 0.89 LTA4H (0.55) RAB9AMMP2MMP3LTA4HEPOR
SCHEMBL1857891 0.84 MAOB (0.49) GPR132MAPK1RAB9AADAMTS4MMP2
SCHEMBL1858392 0.81 ALDH1A1 (0.57) MEN1KMT2ARAB9AMMP2MMP3
SCHEMBL1859940 0.80 GRIK1 (0.51) KMT2AMMP2MMP3
SCHEMBL1856368 0.80 PLAAT3 (0.50) MMP13MMP2MMP3
SCHEMBL1856222 0.79 OPRK1 (0.49)
SCHEMBL1859995 0.78 LTA4H (0.52) MMP2MMP3LTA4H
SCHEMBL1858600 0.78 GRIK1 (0.54) KMT2ARAB9AMMP2MMP3

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 GPR132 361/4885ACACB 717/4885MMP13 3116/4885

“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.