SCHEMBL1932072

SCHEMBL1932072

CC(C)(C)CCC(C)(Cc1ccc(Cl)c(N)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
POLB P06746 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
BLM P54132 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
EGFR P00533 1/20 0.38
FYN P06241 1/20 0.38
GAA P10253 1/20 0.38
APEX1 P27695 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL1930780 0.86 PPARA (0.48) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL1932111 0.86 PPARA (0.48) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL1932453 0.86 PPARA (0.48) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL1932879 0.81 NPC1 (0.44) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL1931036 0.75 PPARA (0.43) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL1932074 0.74 KDM4E (0.40) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL1904138 0.73 NPC1 (0.39) NPC1RAB9AHPGDKDM4ECYP1A2
SCHEMBL1931262 0.70 NPC1 (0.41) NPC1RAB9AHPGDKDM4EALDH1A1
SCHEMBL7055740 0.69 CA2 (0.59) HPGDKDM4EALDH1A1POLBMAPT
SCHEMBL1930976 0.69 PPARA (0.42) NPC1RAB9AHPGDKDM4EALDH1A1

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-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 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 (2 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-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH NPC1 577/4885RAB9A 3852/4885HPGD 535/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH NPC1 577/4885RAB9A 3852/4885HPGD 535/4885

“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.