SCHEMBL103902

SCHEMBL103902

C=C(C)c1ccc(C(=O)Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
PRSS1 P07477 1/20 0.51
ACR P10323 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
HIF1A Q16665 1/20 0.50
F2 P00734 1/20 0.48
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
MGLL Q99685 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 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
SCHEMBL9305883 0.91 ALDH1A1 (0.53) ALDH1A1MAPTPRSS1ACRCYP1A2
SCHEMBL29038955 0.88 ALDH1A1 (0.58) ALDH1A1MAPTPRSS1ACRCYP1A2
SCHEMBL8496209 0.88 ALDH1A1 (0.58) ALDH1A1MAPTPRSS1ACRCYP1A2
SCHEMBL11709820 0.87 PRSS1 (0.62) ALDH1A1MAPTPRSS1ACRCYP1A2
SCHEMBL6864700 0.87 PRSS1 (0.62) ALDH1A1MAPTPRSS1ACRCYP1A2
SCHEMBL11125066 0.87 MAPT (0.55) ALDH1A1MAPTPRSS1ACRCYP1A2
SCHEMBL12227202 0.87 HSD17B10 (0.53) ALDH1A1MAPTPRSS1ACRCYP1A2
SCHEMBL10015744 0.84 ELANE (0.50) ALDH1A1MAPTPRSS1ACRCYP1A2
SCHEMBL712644 0.84 ELANE (0.50) ALDH1A1MAPTPRSS1ACRCYP1A2
SCHEMBL12362581 0.84 CYP1A2 (0.58) ALDH1A1MAPTPRSS1ACRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8992796-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2015-03-31 US disclosed
US-20120056129-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2012-03-08 US disclosed
US-7871540-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2011-01-18 US disclosed
US-20090050844-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2009-02-26 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-20090050844-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION H1-0, H1-4, H1-10 ALDH1A1 4147/4885MAPT 1343/4885PRSS1 2737/4885

“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.