SCHEMBL13485406

SCHEMBL13485406

C/C=C1\CCN(C2CCCC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 7/20 0.36
▸ ACVR1 Q04771 5/20 0.36
▸ BMPR1A P36894 4/20 0.36
▸ ACVRL1 P37023 4/20 0.36
▸ CNR1 P21554 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL14163377 0.78 PARP1 (0.38) —
SCHEMBL9243589 0.72 GRM5 (0.40) GRM5ACVR1BMPR1AACVRL1CNR1
SCHEMBL10677511 0.71 POLB (0.30) ALDH1A1
SCHEMBL17704768 0.71 POLB (0.42) —
SCHEMBL23907169 0.68 MAPT (0.53) GRM5ACVR1BMPR1AACVRL1CNR1
SCHEMBL22216285 0.68 MAPT (0.53) GRM5ACVR1BMPR1AACVRL1CNR1
SCHEMBL23907167 0.68 MAPT (0.53) GRM5ACVR1BMPR1AACVRL1CNR1
SCHEMBL12374718 0.67 — —
SCHEMBL11515949 0.67 POLB (0.44) —
SCHEMBL4605352 0.67 POLB (0.44) —

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-20100040548-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS TECHFIELDS PHARMA CO., LTD (CN) 2010-02-18 — — 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-20100040548-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF ANTIMICROBIALS AND ANTIMICROBIAL-RELATED COMPOUNDS SLC7A1, VIP, HAMP GRM5 3538/4885ACVR1 4225/4885BMPR1A 2270/4885

“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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