SCHEMBL6364141

SCHEMBL6364141

CC(C)(C)OC(=O)C(C)(C)Sc1ccc(C=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CYP2A6 P11509 2/20 0.35
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
MIF P14174 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 2/20 0.33
TBXAS1 P24557 2/20 0.33
POLB P06746 1/20 0.33
EPHX2 P34913 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
PARP10 Q53GL7 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
SCHEMBL6779438 0.82 ALDH1A1 (0.39) ALDH1A1ADRB2ADRB1ADRB3CYP2A6
SCHEMBL498799 0.81 ALDH1A1 (0.41) ALDH1A1ADRB2ADRB1ADRB3CYP2A6
SCHEMBL12426830 0.80 ALDH1A1 (0.41) ALDH1A1ADRB2ADRB1ADRB3SMN1; SMN2
SCHEMBL3285117 0.80 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9ARECQL
SCHEMBL6364681 0.80 ALDH1A1 (0.48) ALDH1A1ADRB2ADRB1ADRB3CYP2A6
SCHEMBL2818700 0.79 MAPT (0.42) ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL2823545 0.76 CA1 (0.44) ALDH1A1SMN1; SMN2RAB9AKDM4EMAPT
SCHEMBL4877710 0.76 LOXL2 (0.40) ABATSMN1; SMN2KDM4ETBXAS1EPHX2
SCHEMBL4884087 0.76 SLC22A12 (0.44) ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4927261 0.75 LOXL2 (0.39) ABATSMN1; SMN2KDM4ETBXAS1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-13 US disclosed
US-20050154061-A1 peroxisome-proliferator-activated receptor (PPAR)-delta agonist; 2-[4-[[[2-[(2,4-Dichlorophenyl)amino]-2-oxoethyl]cyclohexylamino]methyl]-2-methylphenoxy]-2-methylpropanoic acid; cardiovascular disorders, dyslipidaemias or restenosis; improves HDL/LDL cholesterol ratio; side effect reduction BAYER AKTIENGESELLSCHAFT (DE) 2005-07-14 US disclosed
US-20040176445-A1 Propionic acid derivatives BAYER PHARMACEUTICALS CORPORATION 2004-09-09 US disclosed
EP-1438285-A1 ACETIC ACID DERIVATIVES Bayer HealthCare AG (DE) 2004-07-21 EP disclosed
US-6750236-B2 CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
US-20030187041-A1 Propionic acid derivatives URBAHNS KLAUS (DE) 2003-10-02 US disclosed
EP-1328508-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES Bayer Aktiengesellschaft (DE) 2003-07-23 EP disclosed
WO-2003035603-A1 ACETIC ACID DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-05-01 WO disclosed
US-6548538-B2 Potent peroxisome proliferator activated receptor (PPAR)-alpha-activating compounds; propionic acid 2-subsituted with an N-(phenylaminocarbonylalkyl), N-(2-furanylmethyl)aminoalkylphenyl group BAYER AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20030032671-A1 Propionic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 US disclosed
WO-2002028821-A2 PROPIONIC ACID DERIVATIVES WITH PPAR-ALPHA ACTIVATING PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2002-04-11 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 (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-20030187041-A1 Propionic acid derivatives PPARA, PPARD, PPARG ALDH1A1 257/4885ADRB2 43/4885ADRB1 14/4885
US-20030032671-A1 Propionic acid derivatives PPARD, PPARA, PPARG ALDH1A1 550/4885ADRB2 38/4885ADRB1 11/4885
US-20130150325-A1 3-(Fluorovinyl)pyrazoles and their use VHL, HIF1AN, HIF1A ALDH1A1 721/4885ADRB2 1375/4885ADRB1 1859/4885
US-20050154061-A1 peroxisome-proliferator-activated receptor (PPAR)-delta agonist; 2-[4-[[[2-[(2,4-Dichlorophenyl)amino]-2-oxoethyl]cyclohexylamino]methyl]-2-methylphenoxy]-2-methylpropanoic acid; cardiovascular disorders, dyslipidaemias or restenosis; improves HDL/LDL cholesterol ratio; side effect reduction PPARA, PPARD, PPARG ALDH1A1 639/4885ADRB2 22/4885ADRB1 13/4885
US-20040176445-A1 Propionic acid derivatives PPARD, PPARA, PPARG ALDH1A1 550/4885ADRB2 38/4885ADRB1 11/4885

“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.