SCHEMBL5581992

SCHEMBL5581992

C=C(C)C(=O)OC(C)N(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.34
ROCK2 O75116 1/20 0.34
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL1256481 0.85 ELANE (0.41) ELANECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29267500 0.84 CHRM5 (0.36) SMN1; SMN2LMNAMAPTALDH1A1TP53
Hydrochloric Acid SCHEMBL10687532 0.84 ELANE (0.40) ELANECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11302309 0.83 ELANE (0.37) ELANECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8942078 0.83 ALDH1A1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL14135088 0.81 ELANE (0.38) ELANECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1900060 0.80 ALDH1A1 (0.40) ELANECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16594997 0.80 ALDH1A1 (0.38) ELANECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9011226 0.80 ELANE (0.40) ELANESMN1; SMN2LMNANPSR1MAPT
SCHEMBL5345224 0.80 ELANE (0.37) ELANECHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214752-B2 Homopolymers which exhibit a high level of photo-inducable birefringence BAYER MATERIALSCIENCE AG (DE) 2007-05-08 US disclosed
EP-0981558-B1 HOMOPOLYMERS WITH HIGH PHOTOINDUCEABLE DOUBLE REFRACTION BAYER MATERIALSCIENCE AG (DE) 2005-08-17 EP disclosed
US-6875833-B2 Monomers and homopolymers, having high photoinduceable double refraction, prepared therefrom BAYER AKTIENGESELLSCHAFT (DE) 2005-04-05 US disclosed
US-20050070678-A1 Homopolymers which exhibit a high level of photo-inducable birefringence BERNETH HORST (DE) 2005-03-31 US disclosed
US-20030083449-A1 Monomers and homopolymers, having high photoinduceable double refraction, prepared therefrom COVESTRO DEUTSCHLAND AG (DE) 2003-05-01 US disclosed
US-6441113-B1 HOMOPOLYMER OF A (METH)ACRYLATE ESTER OF AN AZOBENZENE-CONTAINING TRINUCLEAR GROUP OF GIVEN FORMULA; HIGH LEVEL OF BIREFRINGENCE INDUCED BY IRRADIATION; USE IN STORAGE OF OPTICAL INFORMATION BAYER AKTIENGESELLSCHAFT (DE) 2002-08-27 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 (1 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-20050070678-A1 Homopolymers which exhibit a high level of photo-inducable birefringence PCNA, SMC4, PARN ELANE 2475/4885CHRNB2 2807/4885CHRNB4 1913/4885

“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.