SCHEMBL2956482

SCHEMBL2956482

[c]1cc(-c2cccc3ccccc23)sc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
CYP1A1 P04798 1/20 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
SCHEMBL2961470 0.80 CYP3A4 (0.36) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL21110943 0.80 CA12 (0.40) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL11523983 0.75 CA12 (0.51) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL2965778 0.72 CYP1A2 (0.41) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
Biphenyl SCHEMBL1073325 0.70 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL29399206 0.70 TNF (0.61) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL27988223 0.70 TNF (0.61) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL69345 0.70 TNF (0.61) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL12914307 0.70 CA12 (0.50) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL23596318 0.69 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2

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-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 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-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 ALDH1A1 944/4885KDM4E 2287/4885MAPT 2357/4885

“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.