SCHEMBL18338928

SCHEMBL18338928

CC/C=C/C/C=C/C/C=C/CCCCCCCC(CN)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.56
▸ F7 P08709 6/20 0.56
▸ F3 P13726 6/20 0.56
▸ PPARG P37231 6/20 0.56
▸ CYP19A1 P11511 5/20 0.56
▸ OXER1 Q8TDS5 4/20 0.56
▸ PPARD Q03181 4/20 0.56
▸ PPARA Q07869 4/20 0.56
▸ MAPT P10636 3/20 0.56
▸ PTGS1 P23219 3/20 0.56
▸ FFAR1 O14842 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ ALOX15 P16050 3/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ FFAR4 Q5NUL3 2/20 0.56

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
SCHEMBL18338930 1.00 ALDH1A1 (0.56) ALDH1A1F7F3PPARGCYP19A1
SCHEMBL18346916 1.00 ALDH1A1 (0.56) ALDH1A1F7F3PPARGCYP19A1
SCHEMBL18346915 0.94 ALDH1A1 (0.54) ALDH1A1F7F3PPARGCYP19A1
SCHEMBL18338959 0.94 ALDH1A1 (0.54) ALDH1A1F7F3PPARGCYP19A1
SCHEMBL18338958 0.94 ALDH1A1 (0.54) ALDH1A1F7F3PPARGCYP19A1
SCHEMBL18346912 0.88 ALDH1A1 (0.51) ALDH1A1F7F3PPARGCYP19A1
SCHEMBL18338746 0.88 ALDH1A1 (0.51) ALDH1A1F7F3PPARGCYP19A1
SCHEMBL18338745 0.88 ALDH1A1 (0.51) ALDH1A1F7F3PPARGCYP19A1
SCHEMBL28961376 0.82 ALDH1A1 (0.63) ALDH1A1F7F3PPARGCYP19A1
SCHEMBL12186624 0.82 ALDH1A1 (0.63) ALDH1A1F7F3PPARGCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688613-B2 Omegabalins, GABA derivatives of omega-3 polyunsaturated acids, their formulations and methods of use JIVA PHARMA, INC. (US) 2017-06-27 — — US disclosed
US-20160376223-A1 Omegabalins, GABA Derivatives of Omega-3 Polyunsaturated Acids, Their Formulations and Methods of Use JIVA PHARMA, INC. (US) 2016-12-29 — — 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-20160376223-A1 Omegabalins, GABA Derivatives of Omega-3 Polyunsaturated Acids, Their Formulations and Methods of Use GABRB3, GABRA3, GABRA5 ALDH1A1 1812/4885F7 1076/4885F3 1777/4885

“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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