SCHEMBL31290744

SCHEMBL31290744

c1ccc2cccc-2c2cccc-2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HSD17B10 Q99714 3/20 0.53
MAPK1 P28482 2/20 0.53
HPGD P15428 1/20 0.53
BCL2L1 Q07817 1/20 0.53
CYP2A6 P11509 1/20 0.53
BACE1 P56817 1/20 0.47
PTGS2 P35354 1/20 0.46
DPP4 P27487 1/20 0.46
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
HNF4A P41235 1/20 0.44
ABL1 P00519 1/20 0.43
ABCB1 P08183 1/20 0.43
BCR P11274 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
GPR55 Q9Y2T6 1/20 0.42

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
Benzene SCHEMBL28035419 0.92 ALDH1A1 (0.61) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL2361430 0.92 ALDH1A1 (0.61) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL21447 0.92 ALDH1A1 (0.61) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL9419397 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL608537 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL13387362 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
Water SCHEMBL9138909 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
Biphenyl SCHEMBL1994657 0.88 ALDH1A1 (0.69) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL11578595 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
Ammonia Solution, Strong SCHEMBL4839393 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10MAPK1HPGDBCL2L1

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-20240415014-A1 ORGANIC MOLECULE LIGHT EMITTERS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-12-12 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-20240415014-A1 ORGANIC MOLECULE LIGHT EMITTERS CCND3, CCND2, OPRD1 ALDH1A1 603/4885HSD17B10 3512/4885MAPK1 4175/4885

“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.