SCHEMBL1931963

SCHEMBL1931963

COc1ccc(C=CCc2ccccc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.59
PTGER3 P43115 2/20 0.59
PTGER2 P43116 2/20 0.59
TRPA1 O75762 1/20 0.53
RELA Q04206 5/20 0.49
TUBB1 Q9H4B7 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
ALOX5 P09917 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
PTGER1 P34995 1/20 0.45
MAPT P10636 2/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44

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
SCHEMBL1931960 1.00 PTGER4 (0.59) PTGER4PTGER3PTGER2TRPA1RELA
SCHEMBL2250015 0.83 TRPA1 (0.47) PTGER4PTGER3PTGER2TRPA1RELA
SCHEMBL1932534 0.83 ALDH1A1 (0.55) PTGER4PTGER3PTGER2KDM4EALDH1A1
SCHEMBL1932532 0.83 ALDH1A1 (0.55) PTGER4PTGER3PTGER2KDM4EALDH1A1
SCHEMBL24074903 0.83 PTGER4 (0.61) PTGER4PTGER3PTGER2TRPA1RELA
SCHEMBL3848013 0.78 TRPA1 (0.63) PTGER4PTGER3PTGER2TRPA1RELA
SCHEMBL9954124 0.78 TRPA1 (0.63) PTGER4PTGER3PTGER2TRPA1RELA
SCHEMBL8964772 0.76 IDO1 (0.44) PTGER4PTGER3PTGER2ALDH1A1TP53
SCHEMBL11429370 0.75 CYP3A4 (0.57) PTGER4PTGER3PTGER2TRPA1RELA
SCHEMBL25154071 0.75 GSK3B (0.63) PTGER4PTGER3PTGER2RELAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9656985-B2 Surfactant-enabled transition metal-catalyzed chemistry MYCELL TECHNOLOGIES, LLC (US) 2017-05-23 US disclosed
US-9656986-B2 Compositions comprising TPGS-750-M MYCELL TECHNOLOGIES, LLC (US) 2017-05-23 US disclosed
US-20170073322-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MYCELL TECHNOLOGIES, LLC (US) 2017-03-16 US disclosed
US-20160347677-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MYCELL TECH LLC (US) 2016-12-01 US disclosed
US-20160340332-A1 Compositions Comprising TPGS-750-M MYCELL TECH LLC (US) 2016-11-24 US disclosed
US-8785665-B2 Surfactant-enabled transition metal-catalyzed chemistry MYCELL TECHNOLOGIES, LLC (US) 2014-07-22 US disclosed
US-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry MyCell Holdings Limited 2011-06-02 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 (4 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-20160340332-A1 Compositions Comprising TPGS-750-M S100A10, S100A6, TPR PTGER4 1831/4885PTGER3 2116/4885PTGER2 2494/4885
US-20170073322-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 PTGER4 4683/4885PTGER3 4533/4885PTGER2 4726/4885
US-20110130562-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 PTGER4 4683/4885PTGER3 4533/4885PTGER2 4726/4885
US-20160347677-A1 Surfactant-Enabled Transition Metal-Catalyzed Chemistry SOD1, SMURF1, MUC1 PTGER4 4683/4885PTGER3 4533/4885PTGER2 4726/4885

“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.