Sugi Predict

Sugi Predict / Compounds / SCHEMBL1444874

SCHEMBL1444874

SCHEMBL1444874

BrC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP19A1 P11511 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MCOLN3 Q8TDD5 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.41
▸ CES2 O00748 2/20 0.41
▸ CES1 P23141 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ DAO P14920 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ ESR1 P03372 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ GSK3B P49841 1/20 0.39

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
SCHEMBL3026802 0.86 CYP19A1 (0.59) ALDH1A1CYP19A1CYP11B2CYP2C19L3MBTL1
SCHEMBL2174905 0.86 CYP19A1 (0.59) ALDH1A1CYP19A1CYP11B2CYP2C19L3MBTL1
SCHEMBL88322 0.75 ALDH1A1 (0.46) ALDH1A1CYP19A1CYP11B2CYP2C19L3MBTL1
SCHEMBL11057226 0.74 ESR1 (0.54) ALDH1A1CYP2C19CYP1A2CYP2C9ESR1
SCHEMBL5905848 0.74 CES1 (0.39) ALDH1A1CYP2C19L3MBTL1TDP1CES2
SCHEMBL5905850 0.74 CES1 (0.39) ALDH1A1CYP2C19L3MBTL1TDP1CES2
SCHEMBL496557 0.73 ALDH1A1 (0.44) ALDH1A1CYP19A1CYP11B2CYP2C19L3MBTL1
SCHEMBL496556 0.73 AKT1 (0.46) ALDH1A1CYP19A1CYP11B2CYP2C19L3MBTL1
SCHEMBL1415032 0.73 ALDH1A1 (0.44) ALDH1A1CYP19A1CYP11B2CYP2C19L3MBTL1
SCHEMBL5924731 0.72 KDM1A (0.45) ALDH1A1TDP1CES2CES1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187780-A A kind of diphenyl ethylene derivatives with nitric oxide donors and preparation method thereof 山东省医学科学院药物研究所 2016-12-07 — — CN claimed
CN-101967086-A Alkoxy-contained conjugated brominated stilbene type sensitizing agent as well as synthesis and application thereof UNIV CHONGQING 2011-02-09 — — CN claimed
US-4713421-A ADDING POLYMERIZATION INHIBITOR AT 60 TO 95% CONVERSION STANDARD OIL COMPANY (INDIANA) (US) 1987-12-15 — — US claimed
EP-4255151-A2 SPIRO[FLUORENE-9,9'-(THIO)XANTHENE] COMPOUNDS Merck Patent GmbH (DE) 2023-10-04 — — EP disclosed
EP-4113643-B1 SPIRO[FLUORENE-9,9'-(THIO)XANTHENE] COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-09 — — EP disclosed
EP-3523834-B1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-01-25 — — EP disclosed
EP-4113643-A1 ELECTRONIC DEVICE Merck Patent GmbH (DE) 2023-01-04 — — EP disclosed
CN-110372571-B 2- (2, 2-diarylethyl) -cyclic amine derivative or salt, synthesis and application thereof, and composition 中国科学院大连化学物理研究所 2022-11-15 — — CN disclosed
US-20210155591-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2021-05-27 — — US disclosed
EP-3378857-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-03-24 — — EP disclosed
EP-3160954-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-23 — — EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 — — US disclosed
EP-1215739-A2 Organic electroluminescent device LG ELECTRONICS INC. (KR) 2002-06-19 — — EP disclosed
US-20020071964-A1 Organic electroluminescent device LG ELECTRONICS INC. 2002-06-13 — — 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
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
US-6083651-A SOLUBLE IN POLYMERIC BINDERS TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-07-04 — — US disclosed
US-5942615-A GOOD SOLUBILITY IN BINDER POLYMERS, SENSITIVITY, AND LOW RESIDUAL POTENTIAL TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-08-24 — — US disclosed
US-5501804-A Apparatus and process for blending elastomer particles and solution into a uniform mixture AMOCO CORPORATION (US) 1996-03-26 — — US disclosed
US-4713421-A ADDING POLYMERIZATION INHIBITOR AT 60 TO 95% CONVERSION STANDARD OIL COMPANY (INDIANA) (US) 1987-12-15 — — US 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-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 ALDH1A1 2369/4885CYP19A1 2971/4885CYP11B2 4179/4885
US-20210155591-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF CHRNB2, ADRB2, CHRNB1 ALDH1A1 2746/4885CYP19A1 4115/4885CYP11B2 352/4885

“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.