SCHEMBL670489

SCHEMBL670489

Cc1cc(Br)cc(Br)c1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.65
TSHR P16473 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
GABRA1 P14867 2/20 0.56
GABRB1 P18505 2/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
ERN1 O75460 1/20 0.46
ALOX15 P16050 6/20 0.44
ALOX12 P18054 5/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
HPGD P15428 3/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL49544 0.86 CA1 (0.58) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL18224 0.80 CYP3A4 (1.00) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL12189844 0.79 CYP3A4 (0.43) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL31218467 0.79 ALDH1A1 (0.52) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL17659001 0.79 ALOX5 (0.52) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL2044956 0.79 ALDH1A1 (0.52) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL9615644 0.79 CA1 (0.65) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL10546483 0.77 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL4340169 0.77 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1
SCHEMBL11020186 0.77 CYP3A4 (0.93) CYP3A4TSHRTDP1GABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243126-B1 METHOD OF MEASURING HYDROGEN PEROXIDE OR OF MEASURING AN ENZYME OR BIOCHEMICAL SUBSTRATE LIBERATING THE PEROXIDE SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1992-08-12 EP claimed
US-11858880-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-01-02 US disclosed
WO-2017159484-A1 2,4-DIAMINOPHENOL DERIVATIVE, AND AGENT FOR INHIBITING AGGREGATION OF TAU AND/OR AMYLOID β 学校法人同志社 2017-09-21 WO disclosed
WO-2016193136-A1 HALOGENATED SALICYLANILIDES FOR TREATING CLOSTRIDIUM INFECTIONS ANTIBIOTX APS (DK) 2016-12-08 WO disclosed
WO-2016051799-A1 2-AMINOHYDROQUINONE DERIVATIVE AND TAU AGGREGATION INHIBITOR 学校法人同志社 2016-04-07 WO disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8716491-B2 Benzimidazolium dyes and their use as fluorescent chemosensors NEW YORK UNIVERSITY (US) 2014-05-06 US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-4333759-A Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones FISONS LIMITED (GB) 1982-06-08 US disclosed
US-4274998-A Diester of 3,5,3',5'-tetrabromo-bisphenol A with halogenated aromatic carboxylic acid ASAHI-DOW LIMITED (JP) 1981-06-23 US disclosed
US-4263037-A 5-Cyano-2,3-dihydrobenzofurans useful as herbicides FISONS LIMITED (GB) 1981-04-21 US disclosed
EP-0007719-A2 Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives FBC LIMITED (GB) 1980-02-06 EP disclosed
US-4125628-A FORMALDEHYDE, QUATERNARY AMMONIUM SALT VINELAND LABORATORIES, INC. (US) 1978-11-14 US disclosed
US-4079035-A Halophenoxyphosphazene fire retardants and polyesters containing same ETHYL CORPORATION (US) 1978-03-14 US disclosed
US-4026964-A Halophenoxyphosphazene fire retardants and polyesters containing same ETHYL CORPORATION (US) 1977-05-31 US disclosed
US-4022911-A Disinfectant composition comprising a quaternary ammonium compound, a phenol, and formaldehyde DAMON CORPORATION (US) 1977-05-10 US disclosed
US-4010252-A POLYQUATERNARY AMMONIUM COMPOUND, DEODORANTS COLGATE-PALMOLIVE COMPANY (US) 1977-03-01 US disclosed
US-3996312-A CROSSLINKED BY A PHOSPHORUS-OXYGEN-PHOSPHORUS BOND ETHYL CORPORATION (US) 1976-12-07 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-11858880-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids ERG28, UGCG, DPM1 CYP3A4 3930/4885TSHR 4805/4885TDP1 3780/4885
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 CYP3A4 2866/4885TSHR 44/4885TDP1 3984/4885

“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.