SCHEMBL1252989

SCHEMBL1252989

OC[CH]CCOc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
RECQL P46063 1/20 0.59
KCNA3 P22001 1/20 0.54
TAAR1 Q96RJ0 1/20 0.48
PKM P14618 1/20 0.46
THRB P10828 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HTR1B P28222 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44

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
SCHEMBL1017941 0.81 KCNA3 (0.56) ALDH1A1RECQLKCNA3TAAR1PKM
SCHEMBL10533415 0.80 CYP1A2 (0.43) ALDH1A1DRD2DRD4DRD3KDM4E
SCHEMBL11523197 0.79 TAAR1 (0.59) ALDH1A1RECQLKCNA3TAAR1HDAC1
Allylanisole SCHEMBL4737421 0.78 KCNA3 (0.58) ALDH1A1RECQLKCNA3TAAR1PKM
SCHEMBL1251552 0.78 ALDH1A1 (0.52) ALDH1A1RECQLKCNA3TAAR1PKM
SCHEMBL645945 0.78 KCNA3 (0.58) ALDH1A1RECQLKCNA3TAAR1PKM
SCHEMBL3529054 0.76 KCNA3 (0.56) ALDH1A1RECQLKCNA3TAAR1HDAC1
Phenoxyethanol SCHEMBL9349725 0.75 ALDH1A1 (1.00) ALDH1A1RECQLKCNA3TAAR1PKM
Phenoxyethanol SCHEMBL167128 0.75 ALDH1A1 (1.00) ALDH1A1RECQLKCNA3TAAR1PKM
Phenoxyethanol SCHEMBL27476573 0.75 ALDH1A1 (1.00) ALDH1A1RECQLKCNA3TAAR1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889813-B2 Mixture comprising sulfonate group-containing compound and method of manufacturing the same, solution composition, polyurethane resin and method of manufacturing the same, and magnetic recording medium FUJIFILM CORPORATION (JP) 2014-11-18 US disclosed
US-8795858-B2 Magnetic recording medium and method of manufacturing the same FUJIFILM CORPORATION (JP) 2014-08-05 US disclosed
US-8617728-B2 Magnetic tape and method of manufacturing the same FUJIFILM CORPORATION (JP) 2013-12-31 US disclosed
US-8603652-B2 Magnetic recording medium FUJIFILM CORPORATION (JP) 2013-12-10 US disclosed
US-20130184426-A1 MIXTURE COMPRISING SULFONATE GROUP-CONTAINING COMPOUND AND METHOD OF MANUFACTURING THE SAME, SOLUTION COMPOSITION, POLYURETHANE RESIN AND METHOD OF MANUFACTURING THE SAME, AND MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2013-07-18 US disclosed
US-8415036-B2 Mixture comprising sulfonate group-containing compound and method of manufacturing the same, solution composition, polyurethane resin and method of manufacturing the same, and magnetic recording medium FUJIFILM CORPORATION (JP) 2013-04-09 US disclosed
US-20110274947-A1 MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2011-11-10 US disclosed
US-20110229741-A1 MAGNETIC RECORDING MEDIUM AND METHOD OF MANUFACTURING THE SAME FUJIFILM CORPORATION (JP) 2011-09-22 US disclosed
US-20110229740-A1 MAGNETIC TAPE AND METHOD OF MANUFACTURING THE SAME FUJIFILM CORPORATION (JP) 2011-09-22 US disclosed
US-20110027620-A1 RADIATION-CURABLE POLYURETHANE RESIN COMPOSITION AND MAGNETIC RECORDING MEDIUM USING THE SAME FUJIFILM CORPORATION (JP) 2011-02-03 US disclosed
US-20100273029-A1 MIXTURE COMPRISING SULFONATE GROUP-CONTAINING COMPOUND AND METHOD OF MANUFACTURING THE SAME, SOLUTION COMPOSITION, POLYURETHANE RESIN AND METHOD OF MANUFACTURING THE SAME, AND MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2010-10-28 US disclosed
US-7737305-B2 Sulfonic acid polyol compound, polyurethane resin, polyurethane resin for magnetic recording medium, and magnetic recording medium FUJIFILM CORPORATION (JP) 2010-06-15 US disclosed
US-7737304-B2 Sulfonic acid polyol compound, polyurethane resin, polyurethane resin for magnetic recording medium, and magnetic recording medium FUJIFILM CORPORATION (JP) 2010-06-15 US disclosed
US-20090258254-A1 SULFONIC ACID POLYOL COMPOUND, POLYURETHANE RESIN, POLYURETHANE RESIN FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-10-15 US disclosed
US-20090087687-A1 SULFONIC ACID POLYOL COMPOUND, POLYURETHANE RESIN, POLYURETHANE RESIN FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
US-5070097-A MITICIDES ICI AMERICAS INC. (US) 1991-12-03 US disclosed
US-5064846-A Heterocyclic insecticides ICI AMERICAS INC. (US) 1991-11-12 US disclosed
US-4994473-A For plants ICI AMERICAS INC. (US) 1991-02-19 US disclosed
EP-0317259-A2 Heterocyclic insecticides ICI AMERICAS INC. (US) 1989-05-24 EP 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-20090087687-A1 SULFONIC ACID POLYOL COMPOUND, POLYURETHANE RESIN, POLYURETHANE RESIN FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM ASH2L, ASIC1, HNRNPL ALDH1A1 2461/4885RECQL 2971/4885KCNA3 999/4885

“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.