SCHEMBL4439161

SCHEMBL4439161

C1=COC(c2ccccc2)=CO1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
NR1H4 Q96RI1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL3135606 0.79
SCHEMBL513742 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2NPC1RAB9A
Biphenyl SCHEMBL27813018 0.70 ALDH1A1 (0.64) ALDH1A1TAAR1SMN1; SMN2MAPK1NPC1
SCHEMBL5261071 0.69 KDM4E (0.48) ALDH1A1SMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL1747905 0.66 ALDH1A1 (0.47) ALDH1A1TAAR1SMN1; SMN2MAPK1NPC1
SCHEMBL490962 0.66 ALDH1A1 (0.47) ALDH1A1TAAR1SMN1; SMN2MAPK1NR1H4
Biphenyl SCHEMBL27643334 0.59 ALDH1A1 (0.82) ALDH1A1TAAR1SMN1; SMN2MAPK1NPC1
Biphenyl SCHEMBL2548048 0.58 ALDH1A1 (1.00) ALDH1A1TAAR1SMN1; SMN2MAPK1NPC1
SCHEMBL29560186 0.58 ALDH1A1 (1.00) ALDH1A1TAAR1SMN1; SMN2MAPK1NPC1
Biphenyl SCHEMBL1358618 0.58 ALDH1A1 (1.00) ALDH1A1TAAR1SMN1; SMN2MAPK1NPC1

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
US-20090107908-A1 Thermally, Heat and Chemically Resistant Ultrafiltration Polyimide Membrane and Method for its Production POLOTSKAYA GALINA A 2009-04-30 US claimed
US-5874477-A ADMINISTERING AN AMINOTETRALIN, A PHENYL DIOXIN, A AN ERGOLINE, AN INDOLE DERIVATIVE OR AN ALKYLPIPERIDINE, PRECURSORS OF WHICH ARE FRUIT PEELINGS; DISPLACEMENT OF LIGANDS ON SUBTYPE 5HT1A OR 5HT2/5HT1C; REDUCE SYMPTOMS THE UNIVERSITY OF HAWAII (US) 1999-02-23 US claimed
WO-1996004898-A1 A METHOD OF TREATMENT FOR MALARIA MCCONNELL BRUCE (US) 1996-02-22 WO claimed
US-9812315-B2 Treating solution for electronic parts, and process for producing electronic parts FINE POLYMERS CORPORATION (JP) 2017-11-07 US disclosed
US-9812315-B2 Treating solution for electronic parts, and process for producing electronic parts FINE POLYMERS CORPORATION (JP) 2017-11-07 US disclosed
US-9812315-B2 Treating solution for electronic parts, and process for producing electronic parts FINE POLYMERS CORPORATION (JP) 2017-11-07 US disclosed
CN-104487840-B Method for fractionating dioxins 三浦工业株式会社 2017-09-12 CN disclosed
US-20150279654-A1 TREATING SOLUTION FOR ELECTRONIC PARTS, AND PROCESS FOR PRODUCING ELECTRONIC PARTS FINE POLYMERS CORPORATION (JP) 2015-10-01 US disclosed
US-20150279654-A1 TREATING SOLUTION FOR ELECTRONIC PARTS, AND PROCESS FOR PRODUCING ELECTRONIC PARTS FINE POLYMERS CORPORATION (JP) 2015-10-01 US disclosed
US-20150279654-A1 TREATING SOLUTION FOR ELECTRONIC PARTS, AND PROCESS FOR PRODUCING ELECTRONIC PARTS FINE POLYMERS CORPORATION (JP) 2015-10-01 US disclosed
CN-203586219-U Cremation machine with built-in four-time combustion chamber JIN ZHIPING 2014-05-07 CN disclosed
US-20140051664-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH RADIOTHERAPY SYNTA PHARMACEUTICALS CORP. (US) 2014-02-20 US disclosed
CN-101378993-B Method for the preparation of aqueous dispersions of TiO2 in the form of nanoparticles, and dispersions obtainable with this method COLOROBBIA ITALIANA SPA 2012-11-07 CN disclosed
US-20120234750-A1 THERMALLY, HEAT AND CHEMICALLY RESISTANT ULTRAFILTRATION POLYIMIDE MEMBRANE AND METHOD FOR ITS PRODUCTION POLOTSKAYA GALINA A (US) 2012-09-20 US disclosed
US-20090107908-A1 Thermally, Heat and Chemically Resistant Ultrafiltration Polyimide Membrane and Method for its Production POLOTSKAYA GALINA A 2009-04-30 US disclosed
CN-2386329-Y Incinerator with built-in tertiary combustion chamber ZHAO GUOCHAO (CN) 2000-07-05 CN disclosed
US-5874477-A ADMINISTERING AN AMINOTETRALIN, A PHENYL DIOXIN, A AN ERGOLINE, AN INDOLE DERIVATIVE OR AN ALKYLPIPERIDINE, PRECURSORS OF WHICH ARE FRUIT PEELINGS; DISPLACEMENT OF LIGANDS ON SUBTYPE 5HT1A OR 5HT2/5HT1C; REDUCE SYMPTOMS THE UNIVERSITY OF HAWAII (US) 1999-02-23 US disclosed
WO-1996004898-A1 A METHOD OF TREATMENT FOR MALARIA MCCONNELL BRUCE (US) 1996-02-22 WO 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-20140051664-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH RADIOTHERAPY HSP90AB1, HSP90AA1, HSP90B1 ALDH1A1 3008/4885TAAR1 4188/4885SMN1; SMN2 3328/4885

“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.