Sugi Predict

Sugi Predict / Compounds / SCHEMBL358549

SCHEMBL358549

SCHEMBL358549

CCC(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.70
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA7 P43166 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ MIF P14174 1/20 0.52
▸ BCHE P06276 1/20 0.49
▸ TYR P14679 1/20 0.49
▸ ACHE P22303 1/20 0.49
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ AKR1C3 P42330 3/20 0.47

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
SCHEMBL13871997 0.94 CYP17A1 (0.64) CYP17A1MIFALDH1A1TDP1L3MBTL1
SCHEMBL24610441 0.90 CYP17A1 (0.60) CYP17A1MIFBCHETYRACHE
SCHEMBL8081733 0.90 CYP17A1 (0.60) CYP17A1MIFBCHETYRACHE
SCHEMBL14385525 0.87 CYP17A1 (0.57) CYP17A1CA12CA1CA2CA7
SCHEMBL14392142 0.87 CYP17A1 (0.57) CYP17A1CA12CA1CA2CA7
SCHEMBL20587982 0.87 CYP17A1 (0.57) CYP17A1MIFBCHETYRACHE
Ammonia Solution, Strong SCHEMBL6000107 0.87 CYP17A1 (0.87) CYP17A1MIFBCHETYRACHE
SCHEMBL27793947 0.87 CYP17A1 (0.57) CYP17A1MIFBCHETYRACHE
SCHEMBL12445339 0.84 CYP17A1 (0.54) CYP17A1L3MBTL1AKR1C3AKR1C2AKR1C1
Benzylamine SCHEMBL9396009 0.84 ALDH1A1 (0.55) CYP17A1CYP1A2CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230235115-A1 ESTER COMPOUND AND RESIN COMPOSITION AJINOMOTO CO., INC. (JP) 2023-07-27 — — US disclosed
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 — — US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 — — US disclosed
US-20210115038-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2021-04-22 — — US disclosed
EP-3322686-B1 PROCESS FOR PREPARING AN ARYLPROPENE BASF SE (DE) 2019-09-11 — — EP disclosed
EP-3322686-B1 PROCESS FOR PREPARING AN ARYLPROPENE BASF SE (DE) 2019-09-11 — — EP disclosed
CN-110143935-A A kind of preparation method of bis- substituted furan derivative of 2,5- 华侨大学 2019-08-20 — — CN disclosed
US-10308580-B2 Process for preparing an arylpropene BASF SE (DE) 2019-06-04 — — US disclosed
US-10308580-B2 Process for preparing an arylpropene BASF SE (DE) 2019-06-04 — — US disclosed
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2019-02-12 — — US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 — — US disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 — — US disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 — — US disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 — — US disclosed
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 — — US disclosed
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 — — US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 — — US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 — — US disclosed
WO-2007121924-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 — — WO disclosed
US-4026951-A SPLITTING 1,1-(DIMETHOXYPHENYL) PROPANE, ACID CATALYST HAARMANN & REIMER GMBH (DT) 1977-05-31 — — 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 (9 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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 CYP17A1 1521/4885CA12 3122/4885CA1 2903/4885
US-10308580-B2 Process for preparing an arylpropene SKP1, GAPVD1, NUP93 CYP17A1 1926/4885CA12 2305/4885CA1 3379/4885
US-20210115038-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 CYP17A1 2796/4885CA12 776/4885CA1 1421/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 CYP17A1 88/4885CA12 1962/4885CA1 3554/4885
US-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 CYP17A1 147/4885CA12 1703/4885CA1 2550/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 CYP17A1 967/4885CA12 315/4885CA1 347/4885
US-20090099214-A1 Organic Compounds CYP3A43, OXER1, OPRM1 CYP17A1 131/4885CA12 2375/4885CA1 3545/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 CYP17A1 2796/4885CA12 776/4885CA1 1421/4885
US-10202379-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug PREP, UNG, DPP4 CYP17A1 1954/4885CA12 2867/4885CA1 1892/4885

“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.