SCHEMBL587682

SCHEMBL587682

CC1(c2ccc(Br)cc2)OCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
TSHR P16473 3/20 0.38
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2A6 P11509 1/20 0.36
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
NOS1 P29475 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
Magnesium SCHEMBL9306977 0.98 TAAR1 (0.41) TAAR1TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL8168961 0.94 ALDH1A1 (0.40) TAAR1TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL6650386 0.91 TAAR1 (0.40) TAAR1TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL3995603 0.83 TAAR1 (0.43) TAAR1TSHRALDH1A1CYP2A6L3MBTL1
SCHEMBL22613508 0.81 ALDH1A1 (0.45) TSHRALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL10627557 0.81 CYP2A6 (0.41) TAAR1TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL2082178 0.79 LMNA (0.42) TSHRALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL1934134 0.78 TSHR (0.36) TSHRALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2084415 0.77 LMNA (0.54) TSHRALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9047543 0.77 TSHR (0.38) TSHRALDH1A1SMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344858-B2 Micro-electrolysis reactor for ultra fast, oxidant free, C—C coupling reaction and synthesis of daclatasvir analogs thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2022-05-31 US claimed
CN-113402350-A Biaryl compound and preparation method and application thereof 南京工业大学 2021-09-17 CN claimed
US-20200346182-A1 MICRO-ELECTROLYSIS REACTOR FOR ULTRA FAST, OXIDANT FREE, C-C COUPLING REACTION AND SYNTHESIS OF DACLATASVIR ANALOGS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-11-05 US claimed
US-12521395-B2 Gem-disubstituted heterocyclic compounds and their use as IDH inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2026-01-13 US disclosed
EP-4055015-B1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2025-04-02 EP disclosed
US-20230000871-A1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2023-01-05 US disclosed
CN-113402350-B Biaryl compound and preparation method and application thereof 南京工业大学 2022-11-11 CN disclosed
EP-4055015-A1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2022-09-14 EP disclosed
CN-115038700-A Gem disubstituted heterocyclic compounds and their use as IDH inhibitors 内尔维亚诺医疗科学公司 2022-09-09 CN disclosed
US-11344858-B2 Micro-electrolysis reactor for ultra fast, oxidant free, C—C coupling reaction and synthesis of daclatasvir analogs thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2022-05-31 US disclosed
US-11344858-B2 Micro-electrolysis reactor for ultra fast, oxidant free, C—C coupling reaction and synthesis of daclatasvir analogs thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2022-05-31 US disclosed
EP-0073447-B1 PROCESS FOR PRODUCING 1-(P-PRENYLPHENYL)ETHANOL TAISHO PHARMACEUTICAL CO. LTD (JP) 1984-11-21 EP disclosed
US-4436939-A Process for producing 1-(p-prenylphenyl)ethanol TAISHO PHARMACEUTICAL CO., LTD. (JP) 1984-03-13 US disclosed
EP-0073447-A1 Process for producing 1-(p-prenylphenyl)ethanol TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-03-09 EP disclosed
US-4251543-A ANTIINFLAMMATORY AGENTS, ANALGESICS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1981-02-17 US disclosed
US-4051261-A HYPOLIPIDEMIC, ANTIDIABETIC SANDOZ, INC. (US) 1977-09-27 US disclosed
US-4004026-A Dicarboxylic acids and derivatives in the treatment of pain and inflammation CIBA-GEIGY CORPORATION (US) 1977-01-18 US disclosed
US-3953525-A α-Substituted-4-(2,2-dimethyl-1-hydroxypropyl)benzyl alcohols and esters SANDOZ, INC. (US) 1976-04-27 US disclosed
US-3944589-A α-Cycloalkenylphenyl-fatty acid nitriles CIBA-GEIGY CORPORATION (US) 1976-03-16 US disclosed
US-3940434-A ANTIINFLAMMATORY, ANALGESIC CIBA-GEIGY CORPORATION (US) 1976-02-24 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 (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-11344858-B2 Micro-electrolysis reactor for ultra fast, oxidant free, C—C coupling reaction and synthesis of daclatasvir analogs thereof CYCS, COASY, CAT TAAR1 2443/4885TSHR 3455/4885ALDH1A1 532/4885
US-20230000871-A1 GEM-DISUBSTITUTED HETEROCYCLIC COMPOUNDS AND THEIR USE AS IDH INHIBITORS IDH1, IDH2, IDH3A TAAR1 4787/4885TSHR 4759/4885ALDH1A1 478/4885
US-20200346182-A1 MICRO-ELECTROLYSIS REACTOR FOR ULTRA FAST, OXIDANT FREE, C-C COUPLING REACTION AND SYNTHESIS OF DACLATASVIR ANALOGS THEREOF CYCS, COASY, CAT TAAR1 2456/4885TSHR 3484/4885ALDH1A1 504/4885

“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.