Sugi Predict

Sugi Predict / Compounds / SCHEMBL981565

SCHEMBL981565

SCHEMBL981565

O=C(OCc1ccccc1)N1CC[C@H](O)c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ GAA P10253 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ P2RX4 Q99571 2/20 0.48
▸ CACNA1G O43497 1/20 0.47
▸ CACNA1H O95180 1/20 0.47
▸ CACNA1I Q9P0X4 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ P2RX1 P51575 1/20 0.47
▸ P2RX3 P56373 1/20 0.47
▸ PTGDR2 Q9Y5Y4 2/20 0.47
▸ HTR2C P28335 1/20 0.45
▸ CTRB1 P17538 1/20 0.45
▸ NOTUM Q6P988 1/20 0.43

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
SCHEMBL2172049 1.00 NPC1 (0.61) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL2173894 1.00 NPC1 (0.61) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL3168426 0.86 NPC1 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL5714146 0.86 NPC1 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL5714049 0.84 NPC1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL2877449 0.84 NPC1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL2877447 0.84 NPC1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL2174240 0.84 NPC1 (0.55) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL2174234 0.84 NPC1 (0.55) NPC1RAB9AL3MBTL1SMN1; SMN2GAA
SCHEMBL13506429 0.82 NPC1 (0.48) NPC1RAB9AL3MBTL1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1964925-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-1,2,3,4 -TETRAHYDROQUINOLINES MITSUBISHI TANABE PHARMA CORP (JP) 2016-03-30 — — EP disclosed
EP-1941881-B1 Naphthalene derivatives for the treatment of dermatitis and psoriasis MITSUBISHI TANABE PHARMA CORP (JP) 2014-08-13 — — EP disclosed
US-8754221-B2 Optically active cyclic alcohol compound and method for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-06-17 — — US disclosed
US-20130237708-A1 Optically Active Cyclic Alcohol Compound And Method For Preparing The Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-12 — — US disclosed
EP-2371820-B1 Optically active cyclic alcohol compound and method for preparing the same MITSUBISHI TANABE PHARMA CORP (JP) 2013-08-28 — — EP disclosed
US-8471028-B2 Optically active cyclic alcohol compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-25 — — US disclosed
EP-1944291-B1 Optically active cyclic alcohol compound and method for producing same MITSUBISHI TANABE PHARMA CORP (JP) 2012-06-13 — — EP disclosed
EP-2371820-A1 Optically active cyclic alcohol compound and method for preparing the same Mitsubishi Tanabe Pharma Corporation (JP) 2011-10-05 — — EP disclosed
US-20110196157-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION 2011-08-11 — — US disclosed
US-7989627-B2 Optically active cyclic alcohol compound and method for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-02 — — US disclosed
US-7972836-B2 Method of enzymatic optical resolution of racemic 4-hydroxy-1,2,3,4-tetrahydroquinoline MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-05 — — US disclosed
US-7868019-B2 Dermatitis treating agent MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-11 — — US disclosed
US-20100152451-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-17 — — US disclosed
US-20100130494-A1 DERMATITIS TREATING AGENT (AS AMENDED) MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-27 — — US disclosed
US-20090269821-A1 Method for Preparing Optically Active 4-Hydroxy-1,2,3,4-Tetrahydroquinoline Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-29 — — US disclosed
EP-1964925-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-1,2,3,4 -TETRAHYDROQUINOLINES Mitsubishi Tanabe Pharma Corporation (JP) 2008-09-03 — — EP disclosed
EP-1944291-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PRODUCING SAME Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-16 — — EP disclosed
EP-1941881-A1 DERMATITIS REMEDIES TANABE SEIYAKU CO., LTD. (JP) 2008-07-09 — — 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 (4 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-20100130494-A1 DERMATITIS TREATING AGENT (AS AMENDED) AOX1, TLR7, MYD88 NPC1 3420/4885RAB9A 4726/4885L3MBTL1 4529/4885
US-20110196157-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME ADH1C, ADH1A, ADH5 NPC1 3168/4885RAB9A 1609/4885L3MBTL1 3369/4885
US-20100152451-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME ADH1C, ADH1A, ADH5 NPC1 3168/4885RAB9A 1609/4885L3MBTL1 3369/4885
US-20130237708-A1 Optically Active Cyclic Alcohol Compound And Method For Preparing The Same ADH1C, ADH1A, ADH5 NPC1 3168/4885RAB9A 1609/4885L3MBTL1 3369/4885

“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.