Sugi Predict

Sugi Predict / Compounds / SCHEMBL6826843

SCHEMBL6826843

SCHEMBL6826843

CCCCCC1COCCO1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.65
▸ EPHX1 P07099 1/20 0.61
▸ CHRM2 P08172 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ CHRM5 P08912 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP1A2 P05177 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ SPHK1 Q9NYA1 5/20 0.37
▸ SPHK2 Q9NRA0 4/20 0.37
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ PRKD3 O94806 2/20 0.33
▸ PRKCG P05129 2/20 0.33
▸ PRKCB P05771 2/20 0.33
▸ PRKCA P17252 2/20 0.33
▸ PRKCH P24723 2/20 0.33
▸ PRKCI P41743 2/20 0.33

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
SCHEMBL1463562 0.98 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL28042954 0.98 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL4618624 0.98 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL11694128 0.98 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL11615684 0.98 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL28284618 0.98 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL11611467 0.98 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL1803193 0.98 ALDH1A1 (0.69) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL18092763 0.96 ALDH1A1 (0.67) ALDH1A1EPHX1CHRM2CHRM4CHRM5
SCHEMBL2811229 0.96 ALDH1A1 (0.67) ALDH1A1EPHX1CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021129799-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF 广东东阳光药业有限公司 2021-07-01 — — WO claimed
CN-105849096-B Piperidine derivatives having multimodal activity against pain 埃斯蒂文制药股份有限公司 2019-11-29 — — CN claimed
CN-110498796-A Tadalafil analogue containing sulfonyl fluoride group and synthesis method thereof UNIV LANZHOU 2019-11-26 — — CN claimed
CN-105829287-B The active bridged piperazine derivatives of multiplex mode with anti-pain 埃斯蒂文制药股份有限公司 2019-08-27 — — CN claimed
CN-109952301-A 5-HT2C receptor agonists and compositions and methods of use 艾尼纳制药公司 2019-06-28 — — CN claimed
CN-109923114-A Pyrazolopyridine derivatives as HPK1 modulators and their use for the treatment of cancer 因赛特公司 2019-06-21 — — CN claimed
CN-108290856-A Aryl-substituted dihydroquinolones, their preparation and their use as medicaments 尼奥迈德研究所 2018-07-17 — — CN claimed
CN-107849279-A Hydroxide catalyzed formation of silicon-oxygen bonds by dehydrocoupling of hydrosilanes and alcohols 加州理工学院 2018-03-27 — — CN claimed
CN-102977029-B As 5 HT2ASerotonin receptor modulator is applied to treat 3 phenylpyrazole derivatives of relative illness 艾尼纳制药公司 2017-12-19 — — CN claimed
CN-104114553-B Substituted pyrazolo [1,5 a] pyridine as tropomyosin receptor kinase (Trk) inhibitor 雷迪博士实验室有限公司 2017-03-01 — — CN claimed
CN-102153562-B Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2015-05-13 — — CN claimed
CN-104326963-A Indoline-like compound and preparation method, pharmaceutical composition and application thereof SHANGHAI INST MATERIA MEDICA 2015-02-04 — — CN claimed
CN-104211631-A Indoles compound, preparation method thereof, pharmaceutical composition and application thereof SHANGHAI INST MATERIA MEDICA 2014-12-17 — — CN claimed
EP-2657231-A2 SUBSTITUTED AZOLES, ANTI-VIRAL ACTIVE INGREDIENT, PHARMACEUTICAL COMPOSITION, METHOD FOR THE PRODUCTION AND USE THEREOF Ivachtchenko, Alexandre Vasilievich (US) 2013-10-30 — — EP claimed
US-20130253008-A1 SUBSTITUTED AZOLES, ANTIVIRAL ACTIVE COMPONENT, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARATION AND USE THEREOF ALLA CHEM LLC (US) 2013-09-26 — — US claimed
CN-102203089-A N-sulfonylamino polycyclic pyrazolyl compounds ELAN PHARM INC 2011-09-28 — — CN claimed
CN-101041657-A Imines derivative of 4,5-disubstituted-2-aminothiazole having anticancer action and preparation thereof UNIV NANKAI (CN) 2007-09-26 — — CN claimed
CN-110483413-A The method for being used to prepare carbocyclic ring sugar derivatives REXAHN PHARMACEUTICALS INC 2019-11-22 — — CN disclosed
EP-0182302-A2 Novel 1,4-benzodioxane and 1,4-benzodioxine derivatives and production thereof SHIONOGI & CO., LTD. (JP) 1986-05-28 — — EP disclosed
US-4104247-A PROPYLENE HOMO- OR COPOLYMERS ALUMINIC ESTERS MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1978-08-01 — — 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 (1 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-20130253008-A1 SUBSTITUTED AZOLES, ANTIVIRAL ACTIVE COMPONENT, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARATION AND USE THEREOF HCCS, EIF2AK2, HAVCR2 ALDH1A1 531/4885EPHX1 2687/4885CHRM2 1324/4885

“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.