SCHEMBL3048822

SCHEMBL3048822

CC(C)c1ccc(C(=O)O)c(C(C)C)c1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 3/20 0.50
CYP1A2 P05177 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GRM1 Q13255 1/20 0.40
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
ALOX15 P16050 1/20 0.36
EIF4A3 P38919 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
NOTUM Q6P988 1/20 0.35
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34

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
SCHEMBL1950385 0.89 CYP1A2 (0.50) ACE2CYP1A2ALDH1A1GRM1ALOX15
SCHEMBL1446639 0.84 ACE2 (0.47) ACE2CYP1A2ALDH1A1GRM1FABP3
SCHEMBL1583816 0.84 GRM1 (0.49) ACE2CYP1A2ALDH1A1GRM1FABP3
SCHEMBL31044053 0.82 GRM1 (0.47) ACE2CYP1A2ALDH1A1GRM1FABP3
SCHEMBL16466774 0.82 LMNA (0.45) ACE2CYP1A2ALDH1A1ALOX15MAPT
SCHEMBL8011592 0.82 IRAK4 (0.38) ACE2ALDH1A1GRM1MAPTKMT2A
Hydrochloric Acid SCHEMBL9117656 0.80 LMNA (0.43) ACE2CYP1A2ALDH1A1ALOX15MAPT
SCHEMBL28916218 0.79 FABP3 (0.44) ACE2ALDH1A1FABP3FABP4EIF4A3
SCHEMBL6838116 0.79 SELL (0.48) ACE2CYP1A2ALDH1A1GRM1ALOX15
SCHEMBL7253507 0.78 ACE2 (0.43) ACE2CYP1A2ALDH1A1FABP4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107056587-A A kind of method of synthesis L menthols 福建青松股份有限公司 2017-08-18 CN claimed
EP-2649100-A1 CELLULOSE SUBSTRATES, COMPOSITIONS AND METHODS FOR STORAGE AND ANALYSIS OF BIOLOGICAL MATERIALS General Electric Company (US) 2013-10-16 EP disclosed
WO-2012078104-A1 CELLULOSE SUBSTRATES, COMPOSITIONS AND METHODS FOR STORAGE AND ANALYSIS OF BIOLOGICAL MATERIALS GENERAL ELECTRIC COMPANY (US) 2012-06-14 WO disclosed
JP-2010163420-A HERBICIDAL COMPOSITION ZENKOKU NOGYO KYODO KUMIAI RENGOKAI 2010-07-29 JP disclosed
US-7511178-B2 Hydroformylation of aqueous formaldehyde in the presence of a coordination catalyst preferably comprising rhodium dicarbonyl acetonylacetone and 2-phospha-2-icosyl-1,3,5,7-tetramethyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decane; hydrogenation of glycolaldehyde; catalyst selectivity; cost efficiency SHELL OIL COMPANY (US) 2009-03-31 US disclosed
US-20090012333-A1 Hydroformylation of aqueous formaldehyde in the presence of a coordination catalyst preferably comprising rhodium dicarbonyl acetonylacetone and 2-phospha-2-icosyl-1,3,5,7-tetramethyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decane; hydrogenating glycolaldehyde; catalyst selectivity; cost efficiency ALMEIDA LENERO KARINA QUETZALY 2009-01-08 US disclosed
US-7449607-B2 reacting formaldehyde with hydrogen and carbon monoxide in the presence of a catalyst comprising: a source of rhodium, and a ligand including a phospha-1,3,5,7-tetralkyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decyl group SHELL OIL COMPANY (US) 2008-11-11 US disclosed
US-20070249871-A1 reacting formaldehyde with hydrogen and carbon monoxide in the presence of a catalyst comprising: a source of rhodium, and a ligand including a phospha-1,3,5,7-tetralkyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decyl group SHELL OIL COMPANY (US) 2007-10-25 US disclosed
EP-1697291-A1 PROCESS FOR PREPARING GLYCOLALDEHYDE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2006-09-06 EP disclosed
WO-2005058788-A1 PROCESS OF PREPARING GLYCOLALDEHYDE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-06-30 WO disclosed
US-20050014954-A1 Pyrrole synthesis CIBA SPECIALTY CHEMICALS CORP. 2005-01-20 US disclosed
EP-1451179-A1 PYRROLE SYNTHESIS Ciba SC Holding AG (CH) 2004-09-01 EP disclosed
WO-2003044011-A1 PYRROLE SYNTHESIS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-30 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 (3 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-20090012333-A1 Hydroformylation of aqueous formaldehyde in the presence of a coordination catalyst preferably comprising rhodium dicarbonyl acetonylacetone and 2-phospha-2-icosyl-1,3,5,7-tetramethyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decane; hydrogenating glycolaldehyde; catalyst selectivity; cost efficiency H1-0, H1-2, H1-10 ACE2 4337/4885CYP1A2 1206/4885ALDH1A1 117/4885
US-20050014954-A1 Pyrrole synthesis PNPO, PPOX, DHPS ACE2 1729/4885CYP1A2 64/4885ALDH1A1 511/4885
US-20070249871-A1 reacting formaldehyde with hydrogen and carbon monoxide in the presence of a catalyst comprising: a source of rhodium, and a ligand including a phospha-1,3,5,7-tetralkyl-6,9,10-trioxa-tricyclo[3.3.1.1{3,7}]-decyl group PHOSPHO1, H1-2, H1-0 ACE2 4651/4885CYP1A2 1135/4885ALDH1A1 918/4885

“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.