SCHEMBL18644325

SCHEMBL18644325

O=C(O)CCCCCCC/C=C\CCCCCCCCc1cccc(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.59
▸ MAPT P10636 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ PPARA Q07869 1/20 0.53
▸ CBS P35520 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.51
▸ TOP1 P11387 1/20 0.50
▸ MGLL Q99685 1/20 0.50
▸ EPHX2 P34913 1/20 0.49
▸ TBXAS1 P24557 2/20 0.48
▸ HDAC3 O15379 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47

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
SCHEMBL7740301 0.91 HDAC6 (0.69) HDAC6MAPTRXFP1CBSMGLL
SCHEMBL5493077 0.91 HDAC6 (0.69) HDAC6MAPTRXFP1CBSMGLL
SCHEMBL30303107 0.89 HDAC6 (0.67) HDAC6MAPTRXFP1CBSMGLL
SCHEMBL1049248 0.89 HDAC6 (0.67) HDAC6MAPTRXFP1CBSMGLL
SCHEMBL30457561 0.88 MAPT (0.60) MAPTRXFP1PPARATOP1EPHX2
SCHEMBL3312922 0.85 CBS (0.62) HDAC6CBSTRPV1MGLL
SCHEMBL3312925 0.85 CBS (0.62) HDAC6CBSTRPV1MGLL
SCHEMBL27225877 0.85 MAPT (0.79) HDAC6MAPTRXFP1TRPV1TOP1
SCHEMBL9603179 0.85 MAPT (0.79) HDAC6MAPTRXFP1TRPV1TOP1
SCHEMBL3717612 0.85 HDAC6 (0.66) HDAC6MAPTRXFP1MGLLHDAC3

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-20220403586-A1 METHODS OF USING A PHENOLIC FATTY ACID COMPOUND ON A SYNTHETIC FABRIC MATERIAL SI GROUP, INC. 2022-12-22 — — US disclosed
US-20170073884-A1 METHODS OF USING A PHENOLIC FATTY ACID COMPOUND ON A SYNTHETIC FABRIC MATERIAL SI GROUP, INC. 2017-03-16 — — 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-20220403586-A1 METHODS OF USING A PHENOLIC FATTY ACID COMPOUND ON A SYNTHETIC FABRIC MATERIAL FASN, FABP4, ALOX5 HDAC6 4854/4885MAPT 2096/4885RXFP1 3702/4885

“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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