SCHEMBL13057760

SCHEMBL13057760

CC1(C)C2CC=C(/C=C/P(c3ccccc3)c3ccccc3)C1C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
CXCR3 P49682 7/20 0.41
ALOX12 P18054 2/20 0.40
LMNA P02545 2/20 0.38

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
SCHEMBL13057758 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL18339257 0.72 MAPK1 (0.52) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL14321805 0.69 MAPK1 (0.47) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL5391946 0.69 MAPK1 (0.55) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL5297079 0.69 MAPK1 (0.55) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL1300746 0.69 MAPK1 (0.55) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL11074361 0.69 MAPK1 (0.55) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL228374 0.69 MAPK1 (0.55) ALDH1A1KDM4EHPGDCRHBPCRHR2
SCHEMBL6267714 0.66 CXCR3 (0.52) KDM4EHTTMAPK1TSHRCXCR3
Alpha-Pinene SCHEMBL338721 0.61 MAPK1 (0.92) ALDH1A1KDM4EHTTMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298569-A1 USE OF CYCLOVINYL PHOSPHINE/COPPER COMPLEXES AS ARYLATION CATALYSTS CENTRE NATIONAL DE RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 US 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-20100298569-A1 USE OF CYCLOVINYL PHOSPHINE/COPPER COMPLEXES AS ARYLATION CATALYSTS CPNE4, CBR3, DDT ALDH1A1 2819/4885KDM4E 2772/4885HPGD 2482/4885

“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.