SCHEMBL16542992

SCHEMBL16542992

CCCCCCCCCCCCCCCCCCOC(=O)C(C)Cc1ccc(OC#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PLA2G4B P0C869 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39
▸ STS P08842 5/20 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
SCHEMBL19771691 0.85 PPARA (0.41) ACACBTSHRALDH1A1LMNAPLA2G4B
SCHEMBL16542996 0.82 ALOX15 (0.40) TSHRALDH1A1LMNATP53
SCHEMBL11921832 0.82 PLA2G4B (0.38) ACACBTSHRALDH1A1LMNAPLA2G4B
SCHEMBL27549297 0.80 TSHR (0.54) TSHRALDH1A1LMNATP53
SCHEMBL27794811 0.78 ESR1 (0.55) ACACBTSHRALDH1A1LMNATP53
SCHEMBL19248423 0.77 TSHR (0.54) TSHRALDH1A1LMNATP53
SCHEMBL92793 0.77 TSHR (0.54) TSHRALDH1A1LMNATP53
SCHEMBL20929244 0.77 TSHR (0.54) TSHRALDH1A1LMNATP53
SCHEMBL21463110 0.74 BDKRB2 (0.36) ACACBTSHR
SCHEMBL16542990 0.74 PLA2G4B (0.38) ACACBTSHRPLA2G4BTP53ITGB3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150174290-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2015-06-25 — — US disclosed
US-9012677-B2 Amino acid derivatives and absorbable polymers therefrom BEZWADA BIOMEDICAL, LLC (US) 2015-04-21 — — US disclosed
US-20150065586-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM BEZWADA BIOMEDICAL LLC (US) 2015-03-05 — — 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 (2 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-20150065586-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 ACACB 4548/4885TSHR 2352/4885ALDH1A1 3569/4885
US-20150174290-A1 AMINO ACID DERIVATIVES AND ABSORBABLE POLYMERS THEREFROM SRRM2, SLC7A1, BCAT2 ACACB 4548/4885TSHR 2352/4885ALDH1A1 3569/4885

“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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