SCHEMBL13495604

SCHEMBL13495604

Nc1cc(N)cc(COC(=O)/C=C/c2ccc(OC(=O)c3ccccc3)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
AKR1B10 O60218 5/20 0.53
AKR1B1 P15121 5/20 0.53
CA12 O43570 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA5A P35218 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
TTR P02766 1/20 0.49
KMT2A Q03164 7/20 0.46
MAPT P10636 6/20 0.46
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 1/20 0.45
MAOB P27338 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 3/20 0.43
PARP10 Q53GL7 1/20 0.43

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
SCHEMBL679321 0.89 MAPT (0.46) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL679884 0.89 MAPT (0.46) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL1565142 0.87 MAPT (0.42) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL5067160 0.87 MAPT (0.42) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL4754676 0.85 LMNA (0.72) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL4761473 0.85 LMNA (0.72) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL1565118 0.84 MAPT (0.40) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL5067125 0.84 MAPT (0.40) LMNAAKR1B10AKR1B1CA12CA4
SCHEMBL5019482 0.84 ABCG2 (0.49) LMNAKMT2AMAPT
SCHEMBL679821 0.84 MAPT (0.40) LMNAAKR1B10AKR1B1CA12CA4

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-20100048849-A1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP ROLIC AG (CH) 2010-02-25 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-20100048849-A1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP DDC, ALAD, DYNC1LI1 LMNA 590/4885AKR1B10 1726/4885AKR1B1 2206/4885

“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.