SCHEMBL481218

SCHEMBL481218

COc1ccc(OC)c(I)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
ALDH1A1 P00352 3/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
THRB P10828 1/20 0.54
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP1B1 Q16678 2/20 0.48
CYP3A4 P08684 1/20 0.48
IDO1 P14902 2/20 0.47
ADRA1A P35348 2/20 0.47
NFE2L2 Q16236 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL30776243 1.00 CA12 (0.62) CA12CA1CA2CA7CA9
Isopropylamine SCHEMBL28069283 0.90 HTR2A (0.54) CA12CA1CA2CA7CA9
SCHEMBL22118201 0.88 CA12 (0.54) CA12CA1CA2CA7CA9
Propylamine SCHEMBL27795182 0.87 ADRA1A (0.54) CA12CA1CA2CA7CA9
SCHEMBL15515783 0.81 MAPT (0.47) CA12CA1CA2CA7CA9
SCHEMBL22005062 0.81 F2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL15515387 0.81 NQO1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL5972926 0.81 KMT2A (0.47) CA12CA1CA2CA7CA9
SCHEMBL29445512 0.81 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL388185 0.81 CA12 (0.62) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403530-A N, N' -disubstituted dihydrodibenzo [ a, c ] phenazine derivative, preparation method and application 华东理工大学 2022-11-29 CN claimed
US-20240270709-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2024-08-15 US disclosed
US-20240107881-A1 COMPOUND, PHOTOELECTRIC DEVICE, LIGHT ABSORPTION SENSOR, SENSOR EMBEDDED DISPLAY PANEL, AND ELECTRONIC DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2024-03-28 US disclosed
CN-117586183-A Compound, photoelectric device, light absorption sensor, sensor embedded display panel and electronic equipment 三星电子株式会社 2024-02-23 CN disclosed
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
CN-115403530-A N, N' -disubstituted dihydrodibenzo [ a, c ] phenazine derivative, preparation method and application 华东理工大学 2022-11-29 CN disclosed
WO-2022240219-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 에스에프씨 주식회사 2022-11-17 WO disclosed
CN-114929246-A Use of iodide compounds for the treatment and prevention of chemotherapy-associated cachexia and cardiotoxicity 法拉第制药公司 2022-08-19 CN disclosed
CN-109963893-A Conducting polymer and application thereof 奥克兰联合服务有限公司 2019-07-02 CN disclosed
CN-109952301-A 5-HT2C receptor agonists and compositions and methods of use 艾尼纳制药公司 2019-06-28 CN disclosed
US-20030072966-A1 Organic electrolumescence device IDEMITSU KOSAN CO., LTD. (JP) 2003-04-17 US 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
EP-0802173-B1 Process for producing heterocylic aromatic amine or arylamine TOSOH CORP (JP) 2001-12-19 EP disclosed
EP-1061112-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN COMPANY LIMITED (JP) 2000-12-20 EP disclosed
US-5929281-A REACTING A HETROCYCLIC AROMATIC HALIDE WITH AN AMINE COMPOUND IN PRESENCE OF A BASE USING A TRI-TERT-BUTYLPHOSPHINE AND PALLADIUM COMPOUND CATALYST TO FORM HETEROCYCLIC AROMATIC AMINE COMPOUNDS TOSOH CORPORATION (JP) 1999-07-27 US disclosed
EP-0802173-A1 Process for producing heterocylic aromatic amine or arylamine Tosoh Corporation (JP) 1997-10-22 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 (5 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 CA12 4037/4885CA1 4452/4885CA2 3856/4885
US-20240107881-A1 COMPOUND, PHOTOELECTRIC DEVICE, LIGHT ABSORPTION SENSOR, SENSOR EMBEDDED DISPLAY PANEL, AND ELECTRONIC DEVICE CRY1, CYP1A1, CYP1B1 CA12 1497/4885CA1 2527/4885CA2 3035/4885
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 CA12 4431/4885CA1 4340/4885CA2 3780/4885
US-20030072966-A1 Organic electrolumescence device ABCC1, CCND1, JUND CA12 3325/4885CA1 2991/4885CA2 2142/4885
US-20240270709-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME AOX1, ORC3, PPOX CA12 2146/4885CA1 3300/4885CA2 3528/4885

“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.