SCHEMBL1931111

SCHEMBL1931111

CC(C)(C)OC(=O)/C=C/c1ccc(C#N)c([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
HPGD P15428 2/20 0.41
CSF1R P07333 1/20 0.40
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
MAPT P10636 8/20 0.39
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
PAX8 Q06710 1/20 0.39
TDP1 Q9NUW8 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RECQL P46063 2/20 0.38
MITF O75030 1/20 0.38
TP53 P04637 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
SCHEMBL18323016 0.83 BACE1 (0.47) SMN1; SMN2LMNAL3MBTL1HPGDMAPT
SCHEMBL16486673 0.83 BACE1 (0.47) SMN1; SMN2LMNAL3MBTL1HPGDMAPT
SCHEMBL1177905 0.81 MAPT (0.57) VCAM1SMN1; SMN2LMNAL3MBTL1HPGD
SCHEMBL1178062 0.81 LMNA (0.43) VCAM1SMN1; SMN2LMNAL3MBTL1HPGD
SCHEMBL100535 0.81 LMNA (0.43) SMN1; SMN2LMNAL3MBTL1HPGDMAOA
SCHEMBL100534 0.81 LMNA (0.43) SMN1; SMN2LMNAL3MBTL1HPGDMAOA
SCHEMBL3456583 0.81 CSF1R (0.43) SMN1; SMN2CSF1RMAOBALDH1A1
SCHEMBL3456585 0.81 CSF1R (0.43) SMN1; SMN2CSF1RMAOBALDH1A1
SCHEMBL15709268 0.81 PLA2G4A (0.52) VCAM1SMN1; SMN2LMNAL3MBTL1HPGD
SCHEMBL15709267 0.81 PLA2G4A (0.52) VCAM1SMN1; SMN2LMNAL3MBTL1HPGD

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 8 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-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-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
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
WO-2011051165-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 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 (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 VCAM1 455/4885SMN1; SMN2 3173/4885LMNA 340/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH VCAM1 455/4885SMN1; SMN2 3173/4885LMNA 340/4885

“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.