SCHEMBL31290750

SCHEMBL31290750

c1ccc2cc3c(ccc4c5ccnc-5cccc43)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP1B1 Q16678 2/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 3/20 0.41
MAPK1 P28482 3/20 0.41
MAPT P10636 3/20 0.41
CYP3A4 P08684 1/20 0.41
APEX1 P27695 1/20 0.41
PMP22 Q01453 1/20 0.41
CYP1A2 P05177 4/20 0.41
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
PRKCI P41743 1/20 0.41
HPGD P15428 5/20 0.39
HTR2C P28335 1/20 0.38
KDM4E B2RXH2 4/20 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
SCHEMBL28681737 0.85 KDM4E (0.47) ALDH1A1HSD17B10CYP1B1HIF1ALMNA
SCHEMBL5366233 0.83 KDM4E (0.46) ALDH1A1HSD17B10CYP1B1HIF1ALMNA
SCHEMBL1817511 0.81 KDM4E (0.50) ALDH1A1HSD17B10HIF1ALMNAMAPK1
SCHEMBL31261515 0.81 KDM4E (0.50) ALDH1A1HSD17B10HIF1ALMNAMAPK1
SCHEMBL27845489 0.80 HTR2C (0.47) ALDH1A1HSD17B10HIF1ALMNAMAPK1
SCHEMBL314683 0.80 KDM4E (0.51) ALDH1A1HSD17B10HIF1ALMNAMAPK1
Hydrochloric Acid SCHEMBL28716572 0.79 KDM4E (0.48) ALDH1A1HSD17B10HIF1ALMNAMAPK1
SCHEMBL2867534 0.78 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP1B1HIF1AMAPK1
SCHEMBL4242615 0.77 KDM4E (0.54) ALDH1A1HSD17B10CYP1B1HIF1ALMNA
SCHEMBL12014617 0.76 KDM4E (0.39) ALDH1A1HSD17B10CYP1B1HIF1ALMNA

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 3512/4885CYP1B1 773/4885

“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.