SCHEMBL1253009

SCHEMBL1253009

[CH2]C(O)Cc1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.58
SLC6A4 P31645 1/20 0.57
CYP2D6 P10635 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
IDO1 P14902 1/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL5859651 0.83 LDHA (0.62) LDHASLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL2334749 0.83 SLC6A4 (0.67) LDHASLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL29018022 0.81 LDHA (0.60) LDHASLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL2428966 0.81 SLC6A4 (0.64) LDHASLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL6183230 0.81 SLC6A4 (0.64) LDHASLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL2666118 0.81 SLC6A4 (0.64) LDHASLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL2941975 0.81 SLC6A4 (0.64) LDHASLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL11143074 0.80 NQO1 (0.54) TSHR
SCHEMBL6204427 0.79 LDHA (0.58) LDHASLC6A4CYP2D6CYP1A2CYP2C19
SCHEMBL10678215 0.79 SLC6A4 (0.68) LDHASLC6A4CYP2D6CYP1A2CYP2C19

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 16 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-20110229740-A1 MAGNETIC TAPE AND METHOD OF MANUFACTURING THE SAME FUJIFILM CORPORATION (JP) 2011-09-22 US disclosed
US-20110229741-A1 MAGNETIC RECORDING MEDIUM 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-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-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-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-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 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-20090087687-A1 SULFONIC ACID POLYOL COMPOUND, POLYURETHANE RESIN, POLYURETHANE RESIN FOR MAGNETIC RECORDING MEDIUM, AND MAGNETIC RECORDING MEDIUM ASH2L, ASIC1, HNRNPL LDHA 2315/4885SLC6A4 3659/4885CYP2D6 3500/4885

“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.