SCHEMBL20021707

SCHEMBL20021707

C=CNc1cc(C(C)C)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
ALDH1A1 P00352 4/20 0.47
ALOX12 P18054 2/20 0.47
HTT P42858 2/20 0.47
HIF1A Q16665 1/20 0.47
RNASEH1 O60930 1/20 0.44
TRPA1 O75762 1/20 0.44
PTGS1 P23219 1/20 0.44
CACNA1C Q13936 1/20 0.44
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
TYR P14679 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL10215354 0.82 KDM5A (0.53) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL24804817 0.80 LMNA (0.47) GAAALDH1A1TRPA1PTGS1CACNA1C
SCHEMBL21565742 0.76 LMNA (0.42) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL23847810 0.73 GABRA1 (0.36) TRPA1PTGS1CACNA1CTYR
SCHEMBL21140989 0.71 ALDH1A1 (0.52) GAAALDH1A1TYRMEN1KMT2A
SCHEMBL10215357 0.70 ADRB3 (0.66) ADRB2ADRA1AADRB3
SCHEMBL13009067 0.70 GAA (0.56) GAAALDH1A1ALOX12HTTHIF1A
SCHEMBL10000417 0.70 KDM5A (0.51) CYP3A4CYP1A2CYP2C19ADRB2ADRB1
SCHEMBL13982146 0.70 KDM5A (0.51) CYP3A4CYP1A2CYP2C19ADRB2ADRB1
SCHEMBL29362968 0.69 TRPA1 (0.67) GAAALDH1A1ALOX12HTTHIF1A

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-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 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 (3 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-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL GAA 2339/4885ALDH1A1 524/4885ALOX12 899/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL GAA 2339/4885ALDH1A1 524/4885ALOX12 899/4885
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL GAA 2339/4885ALDH1A1 524/4885ALOX12 899/4885

“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.