SCHEMBL4613286

SCHEMBL4613286

Cc1ncoc1OCC(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ELANE P08246 2/20 0.32
NPC1 O15118 2/20 0.32
TSHR P16473 2/20 0.32
RAB9A P51151 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
MAOA P21397 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL618431 0.77
SCHEMBL6152260 0.73 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL4612505 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTCYP2C9CYP2C19
SCHEMBL10268749 0.72
SCHEMBL7254407 0.64 NPC1 (0.37) ALDH1A1KDM4EMAPTPOLBNPC1
SCHEMBL22961722 0.64 KDM4E (0.39) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL2737281 0.63
SCHEMBL12394785 0.61 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL12461694 0.61 ELANE (0.42) ALDH1A1KDM4EHPGDMAPTPOLB
SCHEMBL14465626 0.61 KMT2A (0.40) ALDH1A1KDM4EHPGDMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1281704-B1 Process for the the preparation of substituted oxazoles in a continous manner BASF AG (DE) 2008-01-23 EP disclosed
US-7038058-B2 Continuous preparation of substituted oxazoles BASF AKTIENGESELLSCHAFT (DE) 2006-05-02 US disclosed
US-6900332-B2 Process for the preparation of substituted oxazoles BASF AKTIENGESELLSCHAFT (DE) 2005-05-31 US disclosed
EP-1281703-B1 Process for the preparation of 5-alkoxy-oxazoles as well as of pyridoxines BASF AG (DE) 2005-01-26 EP disclosed
US-20040110961-A1 Continuous preparation of substituted oxazoles DSM IP ASSETS B.V. (NL) 2004-06-10 US disclosed
US-6713630-B2 CYCLIZATION AND ACIDIFICATION OF 4-METHYL-5-N-BUTOXYOXAZOLE WITHIN TUBULAR REACTOR BASF AKTIENGESELLSCHAFT (DE) 2004-03-30 US disclosed
US-20030125567-A1 Process for the preparation of substituted oxazoles DSM IP ASSETS B.V. (NL) 2003-07-03 US disclosed
US-20030120082-A1 Continuous preparation of substituted oxazoles DSM IP ASSETS B.V. (NL) 2003-06-26 US disclosed
US-20030050479-A1 Converting alpha -isocyanoalkyl acid esters derivative in presence of a base into 5-alkoxy-substituted oxazoles and simultaneously to the conversion, separating the product from the reaction mixture BASF AKTIENGESELLSCHAFT (DE) 2003-03-13 US disclosed
US-20030050478-A1 Process for the continuous preparation of substituted oxazoles BASF AKTIENGESELLSCHAFT (DE) 2003-03-13 US disclosed
EP-1281703-A1 Process for the preparation of 5-alkoxy-oxazoles as well as of pyridoxines BASF AKTIENGESELLSCHAFT (DE) 2003-02-05 EP disclosed
EP-1281704-A1 Process for the the preparation of substituted oxazoles in a continous manner BASF AKTIENGESELLSCHAFT (DE) 2003-02-05 EP 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 (5 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-20030050479-A1 Converting alpha -isocyanoalkyl acid esters derivative in presence of a base into 5-alkoxy-substituted oxazoles and simultaneously to the conversion, separating the product from the reaction mixture PDXK, PNPO, CYP4B1 ALDH1A1 262/4885KDM4E 470/4885HPGD 303/4885
US-20030125567-A1 Process for the preparation of substituted oxazoles PNPO, PDXK, CYP3A5 ALDH1A1 990/4885KDM4E 465/4885HPGD 320/4885
US-20030120082-A1 Continuous preparation of substituted oxazoles PNPO, PDXK, PLPBP ALDH1A1 811/4885KDM4E 461/4885HPGD 121/4885
US-20040110961-A1 Continuous preparation of substituted oxazoles PNPO, PDXK, PLPBP ALDH1A1 811/4885KDM4E 461/4885HPGD 121/4885
US-20030050478-A1 Process for the continuous preparation of substituted oxazoles PNPO, PLPBP, PDXK ALDH1A1 774/4885KDM4E 510/4885HPGD 90/4885

“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.