SCHEMBL275339

SCHEMBL275339

BrCc1ccc(Br)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
TRPA1 O75762 1/20 0.52
TDP1 Q9NUW8 3/20 0.50
CYP3A4 P08684 1/20 0.50
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
MAPK1 P28482 1/20 0.39
CXCR3 P49682 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
HTR2A P28223 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
IDO1 P14902 1/20 0.34
KDM1A O60341 1/20 0.34
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 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
SCHEMBL30705746 0.89 TRPA1 (0.59) ALDH1A1TSHRTRPA1TDP1CYP3A4
Benzyl Bromide SCHEMBL1043932 0.87 TSHR (0.70) ALDH1A1TSHRTRPA1TDP1CYP3A4
SCHEMBL10426400 0.83 ALDH1A1 (0.52) ALDH1A1TSHRTRPA1TDP1CYP3A4
SCHEMBL739399 0.82 TDP1 (0.67) ALDH1A1TDP1CYP3A4ESR1ESR2
SCHEMBL2462689 0.82 TDP1 (0.67) ALDH1A1TDP1CYP3A4ESR1ESR2
SCHEMBL15201372 0.82 TRPA1 (0.50) ALDH1A1TSHRTRPA1TDP1CYP3A4
SCHEMBL2646943 0.82 TSHR (0.50) ALDH1A1TSHRTRPA1TDP1CYP3A4
SCHEMBL1503288 0.82 ALDH1A1 (0.50) ALDH1A1TSHRTRPA1TDP1CYP3A4
SCHEMBL7536 0.79
SCHEMBL4410065 0.79 TRPA1 (0.46) ALDH1A1TSHRTRPA1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658656-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
WO-2025200154-A1 TWO-PART EPOXY COMPOSITION COMPRISING THIOL CURATIVE, AND CATALYST 3M INNOVATIVE PROPERTIES COMPANY (US) 2025-10-02 WO disclosed
CN-119907795-A Antibacterial compounds 布莱克史密斯医药公司 2025-04-29 CN disclosed
CN-119451943-A Novel substituted 4-amino-4-oxo-but-2-enyl derivatives, process for their preparation and their therapeutic use 赛诺菲 2025-02-14 CN disclosed
CN-119013251-A Substituted 6, 7-dihydro-5H-benzo [7] rotaene derivatives, process for their preparation and their therapeutic use 赛诺菲 2024-11-22 CN disclosed
WO-2024160276-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEIGENE, LTD. (KY) 2024-08-08 WO disclosed
CN-117580592-A Compounds for targeting bruton's tyrosine kinase degradation 渤健马萨诸塞州股份有限公司 2024-02-20 CN disclosed
CN-116615414-A Substituted 6, 7-dihydro-5H-benzo [7] rotaline compounds and derivatives thereof, method for the production and therapeutic use thereof 赛诺菲 2023-08-18 CN disclosed
CN-114957128-A Diaryl imidazolium salt and antibacterial application thereof 四川大学 2022-08-30 CN disclosed
CN-113166618-B Adhesive composition and surface protective film DIC株式会社 2022-08-23 CN disclosed
US-7638663-B2 large energy gap; use in electronic appliance with low power consumption; e.g. 3,3'-di(phenanthrene-9-yl)stilbene SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2009-12-29 US disclosed
EP-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP disclosed
US-20080088229-A1 Stilbene Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-04-17 US disclosed
US-20080091030-A1 Stilbene Derivatives, Light-Emitting Element, Display Device, and Electronic Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2008-04-17 US disclosed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO disclosed
US-20070100180-A1 Stilbene derivative, light emitting element material, light emitting element, light emitting device and electronic appliance SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2007-05-03 US disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
JP-2001010992-A BLUE COLOR LIGHT-EMITTING COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME AND DISPLAY ELEMENT ADOPTING THE SAME AS LUMINESCENT MATERIAL SAMSUNG SDI CO LTD 2001-01-16 JP 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 (4 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-20080091030-A1 Stilbene Derivatives, Light-Emitting Element, Display Device, and Electronic Device NR2E3, NR0B2, NR0B1 ALDH1A1 4/4885TSHR 3440/4885TRPA1 608/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 ALDH1A1 1316/4885TSHR 238/4885TRPA1 2376/4885
US-20080088229-A1 Stilbene Derivative, Light-Emitting Element, Light-Emitting Device, and Electronic Device HSF1, HSPA1B, HSPB1 ALDH1A1 21/4885TSHR 3967/4885TRPA1 49/4885
US-20070100180-A1 Stilbene derivative, light emitting element material, light emitting element, light emitting device and electronic appliance TLL1, MT-ATP8, TLL2 ALDH1A1 280/4885TSHR 3849/4885TRPA1 634/4885

“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.