SCHEMBL977250

SCHEMBL977250

C#Cc1ccc(OCCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ NR1I2 O75469 1/20 0.50
▸ APP P05067 6/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MMP2 P08253 1/20 0.40
▸ GSTP1 P09211 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL25230809 0.89 ALDH1A1 (0.43) ALDH1A1RECQLNR1I2APPGAA
SCHEMBL19342431 0.88 ALDH1A1 (0.42) ALDH1A1RECQLAPPGAAHRH3
SCHEMBL20969950 0.86 PRSS1 (0.41) ALDH1A1APPCA12CA1CA9
SCHEMBL6046899 0.86 PRMT1 (0.43) ALDH1A1RECQLAPPGAAHRH3
SCHEMBL6727999 0.86 PRMT1 (0.43) ALDH1A1RECQLAPPGAAHRH3
SCHEMBL28106819 0.83 ALDH1A1 (0.75) ALDH1A1RECQLNR1I2APPGAA
SCHEMBL48239 0.83 ALDH1A1 (0.75) ALDH1A1RECQLNR1I2APPGAA
SCHEMBL19995157 0.83 APP (0.47) ALDH1A1APPCA12CA1CA9
SCHEMBL38655982 0.82 KCNA3 (0.48) GAAHRH3
SCHEMBL12711671 0.82 APP (0.65) ALDH1A1RECQLNR1I2APPGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0744391-B1 Process for the preparation of aromatic acetyles using palladacyclen as acatalysts AVENTIS RES & TECH GMBH & CO (DE) 2001-09-26 — — EP claimed
CN-117751113-A Aromatic acetylene derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-03-22 — — CN disclosed
WO-2023011573-A1 AROMATIC ACETYLENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 — — WO disclosed
WO-2023011573-A1 AROMATIC ACETYLENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2023-02-09 — — WO disclosed
WO-2020008826-A1 COMPOUNDS, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC株式会社 2020-01-09 — — WO disclosed
EP-3000833-B1 MICELLES COMPRISING A TRIBLOCK COPOLYMER AND A THERAPEUTIC AGENT INTEZYNE TECH INC (US) 2019-09-04 — — EP disclosed
US-9944754-B2 Block copolymers for stable micelles INTEZYNE TECHNOLOGIES, INC. (US) 2018-04-17 — — US disclosed
US-9944752-B2 Block copolymers for stable micelles INTEZYNE TECHNOLOGIES, INC. (US) 2018-04-17 — — US disclosed
US-20170253699-A1 BLOCK COPOLYMERS FOR STABLE MICELLES INTEZYNE TECHNOLOGIES, INC. 2017-09-07 — — US disclosed
US-20170240703-A1 BLOCK COPOLYMERS FOR STABLE MICELLES INTEZYNE TECHNOLOGIES, INC. 2017-08-24 — — US disclosed
US-20060172914-A1 Synthesis of hybrid block copolymers and uses thereof INTEZYNE TECHNOLOGIES, INC. 2006-08-03 — — US disclosed
WO-2006074202-A2 SYNTHESIS OF HYBRID BLOCK COPOLYMERS AND USES THEREOF INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2006-07-13 — — WO disclosed
US-20060142506-A1 Heterobifunctional poly(ethylene glycol) and uses thereof INTEZYNE TECHNOLOGIES, INC. 2006-06-29 — — US disclosed
WO-2006047419-A2 HETEROBIFUNCTIONAL POLY(ETHYLENE GLYCOL) AND USES THEREOF INTEZYNE TECHNOLOGIES, INCORPORATED (US) 2006-05-04 — — WO disclosed
WO-2005103031-A1 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 — — WO disclosed
WO-2005103002-A2 NOVEL ALKYNE COMPOUNDS WITH AN MCH-ANTAGONISTIC ACTION AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 — — WO disclosed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 — — US disclosed
US-6673267-B2 EXHIBING HIGH REFRACTIVE INDEX ANISOTROPY; PHOTOSTABILITY; USEFUL IN PRODUCING COLORED FILMS, DISPLAYS, OPTICAL RECORDING MATERIALS, OPTICAL COMPENSATORS, POLARIZERS, REFLECTOR PLATES, AND SCATTERING PLATES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-01-06 — — US disclosed
US-20020006479-A1 Phenylacetylene compound, liquid crystal composition, polymer, optically anisotropic product, and liquid crystal or optical element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-17 — — US disclosed
US-5886240-A Process for preparing aromatic acetylenes using palladacycles as catalysts HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-23 — — 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 (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-20060142506-A1 Heterobifunctional poly(ethylene glycol) and uses thereof GNE, ALG1, EPHX2 ALDH1A1 1837/4885RECQL 3871/4885NR1I2 4592/4885
US-20170240703-A1 BLOCK COPOLYMERS FOR STABLE MICELLES ABCB4, CLTB, EPHA2 ALDH1A1 4634/4885RECQL 2362/4885NR1I2 3510/4885
US-20170253699-A1 BLOCK COPOLYMERS FOR STABLE MICELLES ABCB4, CLTB, EPHA2 ALDH1A1 4634/4885RECQL 2362/4885NR1I2 3510/4885
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 ALDH1A1 3567/4885RECQL 4769/4885NR1I2 916/4885

“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.

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