SCHEMBL901053

SCHEMBL901053

OCc1ccc(Cc2ccc(CO)o2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 1/20 0.40
CYP2A6 P11509 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP2C19 P33261 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
G6PC1 P35575 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HIF1A Q16665 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
SCHEMBL183551 0.91
SCHEMBL12442326 0.82 ALDH1A1 (0.38) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL15371815 0.82 ALDH1A1 (0.38) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL9338807 0.81 TDP1 (0.50) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL19317672 0.81 ALDH1A1 (0.41) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL17514990 0.80 TDP1 (0.60) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL17537579 0.78 ALDH1A1 (0.52) ALDH1A1TDP1TSHRKDM4EMAPT
SCHEMBL9541399 0.78
SCHEMBL20163169 0.78
SCHEMBL257119 0.78

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
US-9309209-B2 Derivative of epichlorohydrin of natural origin SOLVAY SA (BE) 2016-04-12 US claimed
US-9309209-B2 Derivative of epichlorohydrin of natural origin SOLVAY SA (BE) 2016-04-12 US disclosed
US-20150353518-A1 CATALYST AND CATALYTIC PROCESS FOR THE ETHERIFICATION/REDUCTION OF FURFURYL DERIVATIVES TO TETRAHYDROFURFURYL ETHERS UNIVERSITAT POLITECNICA DE VALENCIA (ES) 2015-12-10 US disclosed
US-20150353518-A1 CATALYST AND CATALYTIC PROCESS FOR THE ETHERIFICATION/REDUCTION OF FURFURYL DERIVATIVES TO TETRAHYDROFURFURYL ETHERS UNIVERSITAT POLITECNICA DE VALENCIA (ES) 2015-12-10 US disclosed
US-9035018-B2 Furan-based curable compound derived from biomass, solvent-free curable composition, and method for preparing same KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-05-19 US disclosed
US-9035018-B2 Furan-based curable compound derived from biomass, solvent-free curable composition, and method for preparing same KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2015-05-19 US disclosed
EP-2621911-A1 DERIVATIVE OF EPICHLOROHYDRIN OF NATURAL ORIGIN SOLVAY SA (BE) 2013-08-07 EP disclosed
US-20130184477-A1 Derivative of epichlorohydrin of natural origin SOLVAY SA (BE) 2013-07-18 US disclosed
US-20120220742-A1 Furan-Based Curable Compound Derived from Biomass, Solvent-Free Curable Composition, and Method for Preparing Same KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2012-08-30 US disclosed
US-20120220742-A1 Furan-Based Curable Compound Derived from Biomass, Solvent-Free Curable Composition, and Method for Preparing Same KOREA INSTITUTE OF INDUSTRIAL TECHNOLOGY (KR) 2012-08-30 US disclosed
WO-2012041816-A1 DERIVATIVE OF EPICHLOROHYDRIN OF NATURAL ORIGIN SOLVAY SA (BE) 2012-04-05 WO disclosed
US-20110173877-A1 PROCESS FOR PREPARING A HYDROCARBON OR MIXTURE OF HYDROCARBONS SHELL OIL COMPANY 2011-07-21 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 (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-20120220742-A1 Furan-Based Curable Compound Derived from Biomass, Solvent-Free Curable Composition, and Method for Preparing Same FASN, DCXR, CBR3 ALDH1A1 2009/4885TDP1 3418/4885TSHR 4865/4885
US-20110173877-A1 PROCESS FOR PREPARING A HYDROCARBON OR MIXTURE OF HYDROCARBONS ADH1C, ADH5, DHCR24 ALDH1A1 1025/4885TDP1 2958/4885TSHR 3794/4885
US-20150353518-A1 CATALYST AND CATALYTIC PROCESS FOR THE ETHERIFICATION/REDUCTION OF FURFURYL DERIVATIVES TO TETRAHYDROFURFURYL ETHERS ADH1A, ADH1C, ADH5 ALDH1A1 134/4885TDP1 3017/4885TSHR 2306/4885

“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.