SCHEMBL1931817

SCHEMBL1931817

C[C@H](O)COc1ccc(C=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
ALDH1A3 P47895 1/20 0.53
ALDH1A1 P00352 5/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
CYP2A6 P11509 1/20 0.48
TYR P14679 1/20 0.44
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.42
MTOR P42345 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3595449 1.00 LMNA (0.58) LMNAALDH1A3ALDH1A1MAPTSMN1; SMN2
SCHEMBL970318 0.85 ALDH1A3 (0.57) LMNAALDH1A3ALDH1A1MAPTSMN1; SMN2
SCHEMBL10694902 0.85 ALDH1A1 (0.62) LMNAALDH1A3ALDH1A1MAPTSMN1; SMN2
SCHEMBL5949941 0.84 LMNA (0.78) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL9797252 0.83 LMNA (0.60) LMNAALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL15335388 0.82 ALDH1A3 (0.50) LMNAALDH1A3ALDH1A1MAPTSMN1; SMN2
SCHEMBL17070011 0.80 ALDH1A1 (0.50) LMNAALDH1A3ALDH1A1MAPTSMN1; SMN2
SCHEMBL9470287 0.80 ALDH1A3 (0.52) LMNAALDH1A3ALDH1A1MAPTSMN1; SMN2
SCHEMBL5367181 0.80 ALDH1A3 (0.61) LMNAALDH1A3ALDH1A1MAPTSMN1; SMN2
SCHEMBL945328 0.80 ALDH1A1 (0.53) LMNAALDH1A3ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-9095582-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 US disclosed
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-06-12 US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 US disclosed
US-8440700-B2 Substituted aryloxazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-14 US disclosed
EP-2185550-B1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF Bayer Pharma AG (DE) 2011-11-02 EP disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
US-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
EP-2185550-A1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF Bayer Schering Pharma AG (DE) 2010-05-19 EP disclosed
WO-2009015776-A1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO disclosed
WO-2009015776-A1 SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 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-20110130377-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE AADAC, CYP4X1, AGXT LMNA 2430/4885ALDH1A3 1302/4885ALDH1A1 371/4885
US-20140162981-A1 SUBSTITUTED ARYLOXAZOLES AND THEIR USE CYP4X1, AHR, AGXT LMNA 1142/4885ALDH1A3 1764/4885ALDH1A1 555/4885

“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.