SCHEMBL12415461

SCHEMBL12415461

C=CC1CC(C=C)C(C(=O)OCCC)C1C(=O)OCCC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 2/20 0.45
PTPN1 P18031 2/20 0.45
PPP1CC P36873 2/20 0.45
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GRM2 Q14416 1/20 0.31
GRM3 Q14832 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
SCHEMBL26347053 0.87 PPM1B (0.43) PPM1BPTPN1PPP1CCALDH1A1NPSR1
SCHEMBL13897031 0.84 SMN1; SMN2 (0.34) PPM1BPTPN1PPP1CCTSHR
SCHEMBL11367332 0.82 PPM1B (0.38) PPM1BPTPN1PPP1CCALDH1A1NPSR1
SCHEMBL12415457 0.79 CYP3A4 (0.36) ALDH1A1TSHR
SCHEMBL14586744 0.79 THRA (0.32) PPM1BPTPN1PPP1CC
SCHEMBL20313807 0.77 KMT2A (0.31) ALDH1A1NPSR1
SCHEMBL12415445 0.77 PPM1B (0.35) PPM1BPTPN1PPP1CCALDH1A1NPSR1
SCHEMBL12415463 0.76 CYP19A1 (0.36) ALDH1A1NPSR1TSHRKDM4E
SCHEMBL18432732 0.75 PPM1B (0.37) PPM1BPTPN1PPP1CC
SCHEMBL12415460 0.75 PPM1B (0.37) PPM1BPTPN1PPP1CC

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-20140080984-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS ZANNA SCITECH CO., LTD. (CN) 2014-03-20 US disclosed
US-20110172381-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS ZANNA SCITECH CO., LTD. (CN) 2011-07-14 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-20110172381-A1 HIGHLY ACTIVE METATHESIS CATALYSTS SELECTIVE FOR ROMP AND RCM REACTIONS RCSD1, RRP12, TIAM1 PPM1B 2985/4885PTPN1 3461/4885PPP1CC 2366/4885

“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.