SCHEMBL6779760

SCHEMBL6779760

CC(C)(Sc1cccc(C=O)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.46
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
SLC22A12 Q96S37 10/20 0.40
ALDH1A1 P00352 2/20 0.38
PPARA Q07869 1/20 0.37
CYP2A6 P11509 1/20 0.36
CYP2C19 P33261 1/20 0.36
TBXAS1 P24557 2/20 0.35
SRC P12931 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
ALPG P10696 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5370189 0.81 ALDH1A1 (0.44) UNGTRIM24TRIM33ALDH1A1CYP2A6
SCHEMBL6364681 0.80 ALDH1A1 (0.48) SLC22A12ALDH1A1PPARACYP2A6TBXAS1
SCHEMBL27347338 0.78 SLC22A12 (0.43) SLC22A12PPARATBXAS1MEN1KMT2A
SCHEMBL3381395 0.78 CA12 (0.41) SLC22A12ALDH1A1PPARATBXAS1SMN1; SMN2
SCHEMBL3840925 0.77 PPARA (0.47) SLC22A12ALDH1A1PPARAMEN1MAPT
SCHEMBL3150010 0.77 SLC22A12 (0.50) SLC22A12ALDH1A1PPARATBXAS1
SCHEMBL10476068 0.74 PPARA (0.49) SLC22A12ALDH1A1PPARAMEN1MAPT
SCHEMBL1074727 0.74 ALDH1A1 (0.44) UNGTRIM24TRIM33ALDH1A1CYP2A6
SCHEMBL30540204 0.74 ALDH1A1 (0.44) UNGTRIM24TRIM33ALDH1A1CYP2A6
SCHEMBL29951214 0.71 ALDH1A1 (0.56) UNGTRIM24TRIM33ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176445-A1 Propionic acid derivatives BAYER PHARMACEUTICALS CORPORATION 2004-09-09 US disclosed
US-6750236-B2 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
US-20030187041-A1 Propionic acid derivatives URBAHNS KLAUS (DE) 2003-10-02 US disclosed
EP-1328508-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES Bayer Aktiengesellschaft (DE) 2003-07-23 EP disclosed
US-6548538-B2 Potent peroxisome proliferator activated receptor (PPAR)-alpha-activating compounds; propionic acid 2-subsituted with an N-(phenylaminocarbonylalkyl), N-(2-furanylmethyl)aminoalkylphenyl group BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20030032671-A1 Propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 US disclosed
WO-2002028821-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-11 WO 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-20030187041-A1 Propionic acid derivatives PPARA, PPARD, PPARG UNG 4666/4885TRIM24 2638/4885TRIM33 1844/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG UNG 4711/4885TRIM24 1994/4885TRIM33 1906/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG UNG 4711/4885TRIM24 1994/4885TRIM33 1906/4885

“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.