SCHEMBL6779438

SCHEMBL6779438

CCC(CC)(Sc1ccc(C=O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.39
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ALDH3A1 P30838 1/20 0.33
ALDH1A3 P47895 1/20 0.33
POLB P06746 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2A6 P11509 1/20 0.32
MIF P14174 1/20 0.31

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
SCHEMBL6784448 0.82 SMN1; SMN2 (0.38) ALDH1A1MAPTNPC1RAB9AKMT2A
SCHEMBL6364141 0.82 ALDH1A1 (0.43) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL7212663 0.80 ALDH1A1 (0.44) ALDH1A1MAPTNPC1ALDH3A1ALDH1A3
SCHEMBL498799 0.74 ALDH1A1 (0.41) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL6777845 0.70 EPHX2 (0.41) ALDH1A1MAPTKDM4ENPC1RAB9A
SCHEMBL5057067 0.69 ALDH1A1 (0.58) ALDH1A1KDM4EALDH3A1ALDH1A3NPSR1
SCHEMBL6364681 0.68 ALDH1A1 (0.48) ALDH1A1ADRB2ADRB1ADRB3EPHX2
SCHEMBL6780983 0.68 ALDH1A1 (0.44) ALDH1A1MAPTADRB3ALDH1A3KMT2A
SCHEMBL1185621 0.66 ALDH1A1 (0.63) ALDH1A1MAPTADRB2ADRB1ADRB3
SCHEMBL16569010 0.66 TYR (0.46) ALDH1A1MAPTNPC1RAB9AADRB2

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 5 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
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

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 ALDH1A1 257/4885MAPT 4388/4885KDM4E 3413/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG ALDH1A1 550/4885MAPT 4503/4885KDM4E 4055/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG ALDH1A1 550/4885MAPT 4503/4885KDM4E 4055/4885

“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.