SCHEMBL22823697

SCHEMBL22823697

CC(CC(=O)O)c1ccc(OCC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
FFAR4 Q5NUL3 1/20 0.52
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CMKLR1 Q99788 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40

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
SCHEMBL10077240 0.82 FFAR1 (0.52) FFAR1ALDH1A1TSHRFFAR4
SCHEMBL31037707 0.81 FFAR1 (0.51) FFAR1ALDH1A1TSHRFFAR4POLB
SCHEMBL7814760 0.81 FFAR1 (0.51) FFAR1ALDH1A1TSHRFFAR4POLB
SCHEMBL2886658 0.81 SMN1; SMN2 (0.56) FFAR1ALDH1A1TSHRFFAR4POLB
SCHEMBL2886228 0.79 FFAR1 (0.62) FFAR1ALDH1A1TSHRFFAR4POLB
SCHEMBL22823696 0.79 FFAR1 (0.41) FFAR1ALDH1A1TSHRFFAR4POLB
SCHEMBL21121314 0.79 FFAR1 (0.67) FFAR1
SCHEMBL21121315 0.79 FFAR1 (0.67) FFAR1
SCHEMBL22799987 0.79 FFAR1 (0.67) FFAR1
SCHEMBL18713516 0.78 ALDH1A1 (0.56) ALDH1A1TSHRPOLBTDP1L3MBTL1

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-20200399198-A1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS CELON PHARMA S.A. (PL) 2020-12-24 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-20200399198-A1 3-PHENYL-4-HEXYNOIC ACID DERIVATIVES AS GPR40 AGONISTS GPR119, FFAR1, GPR65 FFAR1 2/4885ALDH1A1 1839/4885TSHR 389/4885

“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.