SCHEMBL2140305

SCHEMBL2140305

Nc1ccc(CCOC(=O)/C=C/c2ccc(C(=O)Oc3ccc(C(=O)OCCCC(F)(F)C(F)(F)F)cc3)cc2)c(N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.38
ALOX5 P09917 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4D Q08499 1/20 0.36
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL15772156 0.95 MET (0.38) METALOX5KDM4EMAPTLMNA
SCHEMBL678510 0.95 MET (0.38) METALOX5KDM4EMAPTLMNA
SCHEMBL2136678 0.92 MET (0.38) METALOX5KDM4EMAPTLMNA
SCHEMBL2138162 0.92 MET (0.42) METALOX5KDM4EMAPTCA12
SCHEMBL2142191 0.91 CA12 (0.36) METKDM4EMAPTLMNASMN1; SMN2
SCHEMBL14152013 0.90 MET (0.38) METALOX5KDM4EMAPTLMNA
SCHEMBL14152012 0.90 MET (0.38) METALOX5KDM4EMAPTLMNA
SCHEMBL679369 0.90 MET (0.37) METALOX5KDM4EMAPTLMNA
SCHEMBL2134649 0.89 MET (0.36) METALOX5KDM4EMAPTCA12
SCHEMBL2138342 0.89 MET (0.39) METALOX5KDM4EMAPTLMNA

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-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2011-03-17 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-20110065859-A1 THERMALLY STABLE ALIGNMENT MATERIALS PARG, PARN, PUF60 MET 4377/4885ALOX5 2934/4885KDM4E 2018/4885

“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.