SCHEMBL6940112

SCHEMBL6940112

Cc1ccc2ccccc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
CYP2A6 P11509 3/20 0.42
CYP1A2 P05177 2/20 0.42
SLC2A1 P11166 2/20 0.38
ALDH1A1 P00352 4/20 0.36
KCNJ11 Q14654 2/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 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
SCHEMBL7599032 0.84 DNMT1 (0.39) TSHRCYP2A6SLC2A1ALDH1A1KCNJ11
SCHEMBL7709361 0.83 MAPT (0.37) TSHRCYP2A6CYP1A2SLC2A1ALDH1A1
SCHEMBL19949358 0.83 SLC2A1 (0.36) TSHRCYP2A6SLC2A1ALDH1A1KCNJ11
SCHEMBL29428610 0.83 SLC2A1 (0.36) TSHRCYP2A6SLC2A1ALDH1A1KCNJ11
SCHEMBL3469412 0.82 MAPT (0.47) CYP1A2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL22207935 0.82 CYP2A6 (0.48) TSHRCYP2A6CYP1A2SLC2A1ALDH1A1
SCHEMBL7197168 0.81 ERN1 (0.44) CYP1A2SLC2A1ALDH1A1G6PDHSD17B10
SCHEMBL16237904 0.81 SLC2A1 (0.36) SLC2A1ALDH1A1KCNJ11TUBB4ATUBB
SCHEMBL1269550 0.80 TUBB4A (0.49) CYP1A2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL6934704 0.80 TSHR (0.47) TSHRCYP2A6CYP1A2SLC2A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109097-A Organic electroluminescent material and device 环球展览公司 2022-09-27 CN disclosed
EP-2949655-B1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEM IND CO (JP) 2019-05-15 EP disclosed
US-9707551-B2 Reaction catalyst for cross-coupling and method for manufacturing aromatic compound HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-18 US disclosed
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2015-12-17 US disclosed
EP-2949655-A1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND Hokko Chemical Industry Co., Ltd. (JP) 2015-12-02 EP disclosed
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 (3 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 TSHR 2516/4885CYP2A6 1492/4885CYP1A2 700/4885
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 TSHR 2225/4885CYP2A6 1035/4885CYP1A2 1237/4885
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND ALK, HRH4, HRH3 TSHR 544/4885CYP2A6 314/4885CYP1A2 516/4885

“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.