SCHEMBL21706492

SCHEMBL21706492

C/C=C1/C(=O)c2cccc(C)c2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
USP8 P40818 1/20 0.41
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
HBB P68871 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DAO P14920 1/20 0.39
NTRK1 P04629 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL23095370 0.89 CA1 (0.42) CA1CA2CA7CA9USP8
SCHEMBL24489439 0.81 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL1688847 0.81 ALDH1A1 (0.55) CA1CA2CA7CA9USP8
SCHEMBL12258322 0.79 ALDH1A1 (0.54) CA1CA2CA7CA9USP8
SCHEMBL1104624 0.77 MAPT (0.58) ALDH1A1NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL29634210 0.77 CA1 (0.52) CA1CA2CA7CA9USP8
SCHEMBL4019686 0.77 ALDH1A1 (0.55) CA1CA2CA7CA9USP8
SCHEMBL4161497 0.77 CA1 (0.52) CA1CA2CA7CA9USP8
SCHEMBL6036681 0.77 TDP2 (0.52) CA1CA2CA7CA9USP8
SCHEMBL2265203 0.75 CA1 (0.47) CA1CA2CA7CA9USP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10991893-B2 Organic semiconducting compounds Raynergy Tek Incorporation (TW) 2021-04-27 US disclosed
US-20200052227-A1 ORGANIC SEMICONDUCTING COMPOUNDS MERCK PATENT GMBH (DE) 2020-02-13 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 (2 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-20200052227-A1 ORGANIC SEMICONDUCTING COMPOUNDS OCIAD2, OCIAD1, OSTC CA1 2638/4885CA2 2823/4885CA7 4232/4885
US-10991893-B2 Organic semiconducting compounds OCIAD2, OCIAD1, OSTC CA1 2638/4885CA2 2823/4885CA7 4232/4885

“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.