SCHEMBL477486

SCHEMBL477486

OC(c1ccccc1)c1ccsc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.52
TDO2 P48775 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.44
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2B6 P20813 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HPGD P15428 1/20 0.38
HTR1A P08908 1/20 0.37
ALOX5 P09917 1/20 0.37
LMNA P02545 3/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.35

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
Acetic Acid SCHEMBL28093895 0.91 IDO1 (0.45) IDO1TDO2SMN1; SMN2L3MBTL1SLC6A2
SCHEMBL5104539 0.89 ALOX5 (0.42) IDO1TDO2CYP2E1CYP2A6CYP2B6
SCHEMBL18361615 0.81 CYP3A4 (0.46) IDO1TDO2SMN1; SMN2SLC6A2SLC6A3
SCHEMBL5518330 0.79 CFTR (0.36) IDO1TDO2CYP2A6SLC6A2SLC6A3
SCHEMBL7320352 0.79 NR3C1 (0.36) IDO1TDO2SLC6A2SLC6A3ALOX5
SCHEMBL20448486 0.79 HTR1A (0.44) SLC6A2SLC6A3HPGDHTR1AALOX5
Diphenylmethanol SCHEMBL10868602 0.78 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1CA12CA1CA2
Diphenylmethanol SCHEMBL6434457 0.78 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1CA12CA1CA2
Diphenylmethanol SCHEMBL41571 0.78 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1CA12CA1CA2
Diphenylmethanol SCHEMBL11564700 0.78 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563786-B2 Method for producing optically active alcohol MITSUI CHEMICALS, INC. (JP) 2013-10-22 US disclosed
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-04-12 US disclosed
EP-2412694-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Mitsui Chemicals, Inc. (JP) 2012-02-01 EP disclosed
US-7387751-B2 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2008-06-17 US disclosed
US-7387751-B2 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2008-06-17 US disclosed
US-7384580-B2 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2008-06-10 US disclosed
US-7384580-B2 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2008-06-10 US disclosed
CN-100334085-C Quinuclidine compound and medicine containing the same as active ingredient EISAI R & D CO LTD (JP) 2007-08-29 CN disclosed
US-20070194468-A1 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2007-08-23 US disclosed
US-20070194468-A1 Method of preparing organomagnesium compounds LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2007-08-23 US disclosed
US-6599917-B1 A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor EISAI CO., LTD. (JP) 2003-07-29 US disclosed
CN-1377349-A Quinuclidine compound and medicine containing the same as active ingredient EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed
US-5258360-A Fungicides, insecticides or plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-11-02 US disclosed
US-5160364-A Thiophene substituted acrylic derivatives; insecticides, plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-03 US disclosed
US-5073184-A Agricultural fungicides, insecticides, plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-17 US disclosed
US-5053073-A THIOPHENE DERIVATIVES USEFUL AS FUNGICIDAL, INSECTICIDAL OR PLANT GROWTH REGULATING AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-01 US disclosed
EP-0243014-B1 FUNGICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-06 EP disclosed
US-4863503-A THIOPHENE DERIVATIVES, INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-05 US disclosed
EP-0243014-A1 Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-28 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 (2 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-20070194468-A1 Method of preparing organomagnesium compounds SCLY, LIG3, LIG4 IDO1 220/4885TDO2 1539/4885SMN1; SMN2 4369/4885
US-20120088938-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1A, ADH1C, FHIT IDO1 4327/4885TDO2 1885/4885SMN1; SMN2 4362/4885

“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.