SCHEMBL1932074

SCHEMBL1932074

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 4/20 0.38
HPGD P15428 4/20 0.38
CYP1A2 P05177 3/20 0.38
ALDH1A1 P00352 3/20 0.38
PMP22 Q01453 2/20 0.38
POLB P06746 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 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
EGFR P00533 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
SCHEMBL1932879 0.80 NPC1 (0.44) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL1932453 0.76 PPARA (0.48) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL1930780 0.76 PPARA (0.48) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL1932111 0.76 PPARA (0.48) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL1931036 0.74 PPARA (0.43) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL1932072 0.74 NPC1 (0.40) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL1905728 0.73 KDM4E (0.43) KDM4ENPC1RAB9ALMNASMN1; SMN2
SCHEMBL15709525 0.71 KDM4E (0.49) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL15709469 0.71 KDM4E (0.49) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL1905898 0.71 KDM4E (0.49) KDM4ELMNASMN1; SMN2HPGDALDH1A1

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 KDM4E 3557/4885NPC1 577/4885RAB9A 3852/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH KDM4E 3557/4885NPC1 577/4885RAB9A 3852/4885

“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.