SCHEMBL322471

SCHEMBL322471

CCCCCCCCOc1ccccc1C(=O)Oc1ccccc1C(=O)OCC(CC)CCCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.68
PRSS2 P07478 1/20 0.68
PRSS3 P35030 1/20 0.68
ALDH1A1 P00352 7/20 0.67
CYP3A4 P08684 4/20 0.67
CA2 P00918 1/20 0.67
LMNA P02545 5/20 0.62
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NR1I2 O75469 1/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
MAPT P10636 1/20 0.52
OPRK1 P41145 1/20 0.52
HTR2B P41595 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
TSHR P16473 5/20 0.52
MAPK1 P28482 4/20 0.52
TP53 P04637 1/20 0.48

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
SCHEMBL4167259 0.95 PRSS1 (0.74) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL308555 0.92 PRSS1 (0.60) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL5918234 0.87 ALDH1A1 (0.80) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL21835102 0.86 LMNA (0.84) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
Octisalate SCHEMBL1946017 0.85 LMNA (0.73) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
Octisalate SCHEMBL29428934 0.85 LMNA (0.73) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
SCHEMBL11326963 0.85 ALDH1A1 (0.76) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
Bis(2-Ethylhexyl) Phthalate SCHEMBL6245567 0.85 PRSS1 (0.85) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
Bis(2-Ethylhexyl) Phthalate SCHEMBL9473452 0.85 PRSS1 (0.85) PRSS1PRSS2PRSS3ALDH1A1CYP3A4
Bis(2-Ethylhexyl) Phthalate SCHEMBL8498138 0.85 PRSS1 (0.85) PRSS1PRSS2PRSS3ALDH1A1CYP3A4

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-20120100084-A1 POLYMERS BASED ON ARCRYLIC, METHACRYLIC OR ETHACRYLIC AMIDOALKYL SULFONIC ACID OR SALTS AND CARBOXYALKY ACRYLATE, METHACRYLATE OR ETHACRYLATE OR OLIGOMERS OF SAID CARBOXY COMPOUNDS CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-26 US disclosed
US-20110229427-A1 Phosphoric Acid Esters Containing Phosphorus Atoms Bridged By Polyol Units CLARIANT FINANCE (BVI) LIMITED (VG) 2011-09-22 US disclosed
US-20110130704-A1 COMBINATION OF A LIGHT RAY AND A LIPASE-BIOCONVERTIBLE COMPOUND FOR IMPROVING SKIN AND/OR HAIR APPEARANCE L'OREAL (FR) 2011-06-02 US disclosed
US-20110104085-A1 Cosmetic Or Pharmaceutical Compositions Comprising Modified Polysiloxanes With At Least One Carbamate Group CLARIANT FINANCE (BVI) LIMITED (VG) 2011-05-05 US disclosed
US-20110003010-A1 Phosphoric Acid Esters Containing Phosphorus Atoms Bridged By Diol Units CLARIANT FINANCE (BVI) LIMITED (VG) 2011-01-06 US disclosed
US-20060104940-A1 Cosmetic, pharmaceutical and dermatological preparations comprising copolymer waxes CLARIANT GMBH 2006-05-18 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 (4 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-20120100084-A1 POLYMERS BASED ON ARCRYLIC, METHACRYLIC OR ETHACRYLIC AMIDOALKYL SULFONIC ACID OR SALTS AND CARBOXYALKY ACRYLATE, METHACRYLATE OR ETHACRYLATE OR OLIGOMERS OF SAID CARBOXY COMPOUNDS ASS1, ADSL, ACMSD PRSS1 1424/4885PRSS2 1243/4885PRSS3 2384/4885
US-20060104940-A1 Cosmetic, pharmaceutical and dermatological preparations comprising copolymer waxes CUTA, ACMSD, DEGS1 PRSS1 2629/4885PRSS2 3397/4885PRSS3 3210/4885
US-20110003010-A1 Phosphoric Acid Esters Containing Phosphorus Atoms Bridged By Diol Units HAO2, HAO1, CYP24A1 PRSS1 4610/4885PRSS2 4616/4885PRSS3 4812/4885
US-20110104085-A1 Cosmetic Or Pharmaceutical Compositions Comprising Modified Polysiloxanes With At Least One Carbamate Group KDM1A, KDM6A, KDM2A PRSS1 2440/4885PRSS2 2778/4885PRSS3 2385/4885

“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.