SCHEMBL31290738

SCHEMBL31290738

c1cc2cccc-2cc2cccc-2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
ESR1 P03372 1/20 0.65
KMT2A Q03164 1/20 0.65
HSD17B1 P14061 2/20 0.56
HSD17B2 P37059 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
ALDH1A1 P00352 1/20 0.54
MAOA P21397 1/20 0.53
APP P05067 1/20 0.53
ABL1 P00519 2/20 0.52
ABCB1 P08183 2/20 0.52
BCR P11274 2/20 0.52
KMO O15229 1/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2E1 P05181 1/20 0.48

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
SCHEMBL4969576 0.95
SCHEMBL6918022 0.92 ALDH1A1 (0.69) MEN1ESR1KMT2AHSD17B1HSD17B2
SCHEMBL29354148 0.92 ALDH1A1 (0.69) MEN1ESR1KMT2AHSD17B1HSD17B2
SCHEMBL2731883 0.92 ALDH1A1 (0.69) MEN1ESR1KMT2AHSD17B1HSD17B2
SCHEMBL31734209 0.92 ALDH1A1 (0.69) MEN1ESR1KMT2AHSD17B1HSD17B2
SCHEMBL2401076 0.92 ALDH1A1 (0.69) MEN1ESR1KMT2AHSD17B1HSD17B2
Biphenyl SCHEMBL11687528 0.92 ALDH1A1 (0.69) MEN1ESR1KMT2AHSD17B1HSD17B2
SCHEMBL51426 0.92 ALDH1A1 (0.69) MEN1ESR1KMT2AHSD17B1HSD17B2
Benzene SCHEMBL475971 0.91 MEN1 (0.56) MEN1ESR1KMT2AHSD17B1HSD17B2
Ammonia Solution, Strong SCHEMBL2325144 0.91

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 MEN1 4284/4885ESR1 405/4885KMT2A 4248/4885

“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.