SCHEMBL6935164

SCHEMBL6935164

CS(=O)(=O)Oc1ccccc1CCO

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
BRD4 O60885 1/20 0.37
DHODH Q02127 1/20 0.36
HRH1 P35367 1/20 0.36
CXCL8 P10145 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
AOC3 Q16853 1/20 0.34

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
SCHEMBL30422165 0.85 EPHX1 (0.39) TAAR1CA12CA1CA2CA5A
SCHEMBL645987 0.85 EPHX1 (0.39) TAAR1CA12CA1CA2CA5A
SCHEMBL8288339 0.84 TAAR1 (0.43) TAAR1CA12CA1CA2CA5A
SCHEMBL11040584 0.81 CA12 (0.58) TAAR1CA12CA1CA2CA5A
SCHEMBL3171854 0.81 TAAR1 (0.41) TAAR1CA12CA1CA2CA5A
SCHEMBL3655204 0.81 THRA (0.46) TAAR1CA12CA1CA2CA5A
SCHEMBL5992301 0.80 MGLL (0.39) TAAR1CA12CA1CA2CA5A
SCHEMBL10181582 0.79 THRA (0.51) TAAR1CA1CA2CA9KDM4E
SCHEMBL6938219 0.78 DRD2 (0.38) CA12CA1CA2CA5ACA9
SCHEMBL3146283 0.78 TSHR (0.36) TAAR1CA12CA1CA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105008378-A Reaction catalyst for cross coupling and method for manufacturing aromatic compound HOKKO CHEM IND CO 2015-10-28 CN disclosed
EP-1167372-B1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 US disclosed
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-16 US disclosed
US-6365776-B1 FROM ORGANOHALOGEN COMPOUND AND AMINE USING PALLADIUM COMPOUND CATALYST AND PROMOTER TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-04-02 US disclosed
US-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TAKASAGO INTERNATIONAL CORPORATION 2002-03-21 US disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 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-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TYR, DDC, PNMT TAAR1 72/4885CA12 4037/4885CA1 4452/4885
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 TAAR1 633/4885CA12 4431/4885CA1 4340/4885

“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.