SCHEMBL26054333

SCHEMBL26054333

Bc1cccc(CCC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.44
▸ OPRD1 P41143 4/20 0.44
▸ OPRK1 P41145 4/20 0.44
▸ ESR1 P03372 2/20 0.36
▸ TAAR1 Q96RJ0 6/20 0.35
▸ POLB P06746 1/20 0.35
▸ AOC3 Q16853 2/20 0.34
▸ MAP1LC3B Q9GZQ8 1/20 0.34
▸ MAP1LC3A Q9H492 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33

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
SCHEMBL9579004 0.85 OPRM1 (0.50) OPRM1OPRD1OPRK1ESR1TAAR1
SCHEMBL5109630 0.80 TAAR1 (0.57) OPRM1OPRD1OPRK1TAAR1SLC6A2
SCHEMBL10284554 0.79 HTR2A (0.43) OPRK1TAAR1MAOASLC6A2SLC6A4
SCHEMBL13614169 0.78 OPRM1 (0.45) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL12152346 0.78 OPRM1 (0.45) OPRM1OPRD1OPRK1TAAR1MAOA
SCHEMBL12510850 0.78 OPRM1 (0.45) OPRM1OPRD1OPRK1ESR1
SCHEMBL3056983 0.78 TAAR1 (0.59) OPRM1OPRD1OPRK1TAAR1SLC6A2
SCHEMBL11949748 0.77 CNR1 (0.42) OPRM1OPRD1OPRK1TAAR1SIGMAR1
SCHEMBL2428599 0.76 MAOA (0.59) OPRM1OPRD1OPRK1TAAR1MAOA
SCHEMBL104012 0.76 OPRK1 (0.70) OPRM1OPRD1OPRK1TAAR1

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-11739121-B2 EPHA2 agonists and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-29 — — 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-11739121-B2 EPHA2 agonists and uses thereof EPHA2, EPHB2, EPHA6 OPRM1 1446/4885OPRD1 3010/4885OPRK1 2574/4885

“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.

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