SCHEMBL2140107

SCHEMBL2140107

Nc1cc(N)cc(CCCOC(=O)/C=C/c2ccc(OC(=O)c3ccc(OCCCC(F)(F)C(F)(F)F)cc3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.41
AKR1B10 O60218 2/20 0.41
AKR1B1 P15121 2/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA4 P22748 2/20 0.39
CA9 Q16790 2/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX5 P09917 1/20 0.38
CA2 P00918 1/20 0.37
PPARG P37231 1/20 0.37
CYP1A1 P04798 1/20 0.37

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
SCHEMBL5069198 1.00 MET (0.41) METAKR1B10AKR1B1CA12CA1
SCHEMBL2141657 0.96 CA12 (0.43) METAKR1B10AKR1B1CA12CA1
SCHEMBL2136385 0.96 CA12 (0.43) METAKR1B10AKR1B1CA12CA1
SCHEMBL1563296 0.93 AKR1B10 (0.44) METAKR1B10AKR1B1CA12CA1
SCHEMBL678505 0.93 MAPT (0.40) METAKR1B10AKR1B1CA12CA1
SCHEMBL865188 0.91 MAPT (0.40) METCA12CA1CA4CA9
SCHEMBL865187 0.91 MAPT (0.40) METCA12CA1CA4CA9
SCHEMBL866228 0.90 MAPT (0.39) CA12CA1CA4CA9CA6
SCHEMBL865567 0.90 MAPT (0.39) CA12CA1CA4CA9KDM4E
SCHEMBL866229 0.90 MAPT (0.39) CA12CA1CA4CA9CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107438653-B Photoalignment composition 罗利克有限公司 2022-01-07 CN disclosed
CN-113652167-A Photoalignment composition 罗利克有限公司 2021-11-16 CN disclosed
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 4377/4885AKR1B10 2792/4885AKR1B1 3503/4885

“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.