SCHEMBL12415460

SCHEMBL12415460

C=CC1CC(C=C)C(C(=O)OC)C1C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A2 P23975 2/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CYP2C19 P33261 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35

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
SCHEMBL18432732 1.00 PPM1B (0.37) PPM1BPTPN1PPP1CCSLC6A4SLC6A3
SCHEMBL18120296 0.89 CYP2C19 (0.33) PPM1BPTPN1PPP1CCSLC6A4SLC6A3
SCHEMBL18461227 0.89 CYP2C19 (0.33) SLC6A4SLC6A3SLC6A2CYP2C19
SCHEMBL19115141 0.89 CYP2C19 (0.33) SLC6A4SLC6A3SLC6A2CYP2C19
SCHEMBL12762662 0.88 CYP2C19 (0.35) PPM1BPTPN1PPP1CCSLC6A4SLC6A3
SCHEMBL18117662 0.88 CYP2C19 (0.35) PPM1BPTPN1PPP1CCSLC6A4SLC6A3
SCHEMBL12415463 0.88 CYP19A1 (0.36) SLC6A4SLC6A3SLC6A2CYP2C19
SCHEMBL12415472 0.82 SLC6A3 (0.34) SLC6A4SLC6A3SLC6A2
SCHEMBL26347053 0.79 PPM1B (0.43) PPM1BPTPN1PPP1CCCYP2C19
SCHEMBL18118605 0.79 ALDH1A1 (0.46) SLC6A4SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197184-A1 HYDROPHILICALLY MODIFIED FLUORINATED MEMBRANE (I) PALL CORPORATION (US) 2017-07-13 US disclosed
US-9643131-B2 Hydrophilic porous polytetrafluoroethylene membrane (I) PALL CORPORATION (US) 2017-05-09 US disclosed
US-9643131-B2 Hydrophilic porous polytetrafluoroethylene membrane (I) PALL CORPORATION (US) 2017-05-09 US disclosed
US-9636641-B2 Hydrophilically modified fluorinated membrane (I) PALL CORPORATION (US) 2017-05-02 US disclosed
US-9636641-B2 Hydrophilically modified fluorinated membrane (I) PALL CORPORATION (US) 2017-05-02 US disclosed
US-20170028363-A1 HYDROPHILIC POROUS POLYTETRAFLUOROETHYLENE MEMBRANE (I) PALL CORPORATION (US) 2017-02-02 US disclosed
US-20170028363-A1 HYDROPHILIC POROUS POLYTETRAFLUOROETHYLENE MEMBRANE (I) PALL CORPORATION (US) 2017-02-02 US disclosed
EP-3124100-A1 HYDROPHILIC POROUS POLYTETRAFLUOROETHYLENE MEMBRANE Pall Corporation (US) 2017-02-01 EP disclosed
US-20160288061-A1 HYDROPHILICALLY MODIFIED FLUORINATED MEMBRANE (I) PALL CORPORATION (US) 2016-10-06 US disclosed
EP-3075765-A1 HYDROPHILICALLY MODIFIED FLUORINATED MEMBRANE Pall Corporation (US) 2016-10-05 EP disclosed
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.