SCHEMBL2064951

SCHEMBL2064951

CCCCOCCN(CCOCCCC)CCOCCCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CYP3A4 P08684 2/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR1B P28222 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
SCHEMBL9135665 0.97 TSHR (0.50) TSHRCYP3A4MEN1KMT2ATHRB
SCHEMBL9356772 0.97 TSHR (0.50) TSHRCYP3A4MEN1KMT2ATHRB
SCHEMBL64901 0.92 HTT (0.50) TSHRCYP3A4MEN1KMT2ATHRB
SCHEMBL26838517 0.91 TSHR (0.44) TSHRCYP3A4MEN1KMT2ATHRB
SCHEMBL20394653 0.90 MEN1 (0.50) TSHRCYP3A4MEN1KMT2ATHRB
SCHEMBL12120261 0.90 HTT (0.54) TSHRMEN1KMT2ATHRBHTT
SCHEMBL12120263 0.90 HTT (0.54) TSHRMEN1KMT2ATHRBHTT
SCHEMBL9549348 0.90 HTT (0.54) TSHRMEN1KMT2ATHRBHTT
SCHEMBL10422513 0.90 HTT (0.54) TSHRMEN1KMT2ATHRBHTT
SCHEMBL12120266 0.90 HTT (0.54) TSHRMEN1KMT2ATHRBHTT

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222159-B1 INTERMEDIATES FOR MAKING A BENZOFURAN OR BENZOTHIOPHENE DERIVATIVE NITRATED IN POSITION 5 AND USES THEREOF RHODIA CHIMIE SA (FR) 2005-06-01 EP claimed
US-20050113596-A1 Nitrating a 2-(2-formylphenoxy) or 2-(2-formylphenylsulfido) alkyl ester or alkoic acid in the presence of sulfuric acid SHASUN PHARMA SOLUTIONS, INC. 2005-05-26 US claimed
JP-2003512347-A 2003-04-02 JP claimed
EP-1222159-A2 INTERMEDIATES FOR MAKING A BENZOFURAN OR BENZOTHIOPHENE DERIVATIVE NITRATED IN POSITION 5 AND USES THEREOF RHODIA CHIMIE (FR) 2002-07-17 EP claimed
WO-2001028974-A2 INTERMEDIATES FOR MAKING A BENZOFURAN OR BENZOTHIOPHENE DERIVATIVE NITRATED IN POSITION 5 AND USES THEREOF RHODIA CHIMIE (FR) 2001-04-26 WO claimed
US-4479022-A ETHER, ALKALINE BASE CATALYST COMPLEXES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-10-23 US claimed
US-4417048-A N-alkylation of organonitrogen compounds RHONE-POULENC SPECIALTIES CHIMIQUES (FR) 1983-11-22 US claimed
US-4369145-A Preparation of fluorobenzenesulfonyl fluorides by exchange fluorination RHONE-POULENC INDUSTRIES (FR) 1983-01-18 US claimed
US-4362855-A Polymerization of polysiloxanes RHONE-POULENC INDUSTRIES (FR) 1982-12-07 US claimed
US-4346244-A Preparation of chloroalkoxybenzenes RHONE-POULENC INDUSTRIES (FR) 1982-08-24 US claimed
US-4322369-A Preparation of alkyl cyanoacetates RHONE-POULENC INDUSTRIES (FR) 1982-03-30 US claimed
US-8795942-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-05 US disclosed
US-8148053-B2 DNA sequenceing, biochemical immobilization, and genetic diagnosis; forming monomolecular film using (alkoxyalkoxy)alkylsilane(triol and/or halide) such as 10-(methoxymethoxy)dodecyltrimethoxysilane which forms hydroxyl groups when exposed to acid; forming polysulfonates; radiation with high energy beams SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-04-03 US disclosed
US-8057981-B2 Resist composition, resist protective coating composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-11-15 US disclosed
US-8057981-B2 Resist composition, resist protective coating composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-11-15 US disclosed
US-4369145-A Preparation of fluorobenzenesulfonyl fluorides by exchange fluorination RHONE-POULENC INDUSTRIES (FR) 1983-01-18 US disclosed
US-4362855-A Polymerization of polysiloxanes RHONE-POULENC INDUSTRIES (FR) 1982-12-07 US disclosed
US-4346244-A Preparation of chloroalkoxybenzenes RHONE-POULENC INDUSTRIES (FR) 1982-08-24 US disclosed
US-4322369-A Preparation of alkyl cyanoacetates RHONE-POULENC INDUSTRIES (FR) 1982-03-30 US disclosed
US-4273915-A TRIS/OXYALKYL/AMINE, APROTIC SOLVENT, EPOXY RESIN RHONE-POULENC INDUSTRIES (FR) 1981-06-16 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-20050113596-A1 Nitrating a 2-(2-formylphenoxy) or 2-(2-formylphenylsulfido) alkyl ester or alkoic acid in the presence of sulfuric acid SULT1A1, SULT1E1, FPR1 TSHR 2507/4885CYP3A4 125/4885MEN1 3851/4885

“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.