Sugi Predict

Sugi Predict / Compounds / SCHEMBL2838543

SCHEMBL2838543

SCHEMBL2838543

c1ccc(-c2ccc([C](c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ MAPT P10636 3/20 0.56
▸ WDR5 P61964 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ MMP3 P08254 1/20 0.55
▸ BCL2L1 Q07817 1/20 0.55
▸ RAB9A P51151 3/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ CTDSP1 Q9GZU7 1/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ CYP1A2 P05177 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ CDC25B P30305 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ FFAR1 O14842 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48

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
SCHEMBL6191835 0.97 RAB9A (0.56) SMN1; SMN2MAPTWDR5ALDH1A1MMP3
SCHEMBL14471506 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MAPTWDR5ALDH1A1MMP3
SCHEMBL28543895 0.81 SMN1; SMN2 (0.56) SMN1; SMN2MAPTWDR5ALDH1A1MMP3
SCHEMBL143 0.79 CES1 (0.53) SMN1; SMN2MAPTALDH1A1L3MBTL1LMNA
SCHEMBL827097 0.79 ALDH1A1 (0.90) SMN1; SMN2MAPTWDR5ALDH1A1MMP3
SCHEMBL143471 0.79 ALDH1A1 (0.90) SMN1; SMN2MAPTWDR5ALDH1A1MMP3
SCHEMBL2637802 0.79 ALDH1A1 (0.90) SMN1; SMN2MAPTWDR5ALDH1A1MMP3
SCHEMBL1991754 0.79 ALDH1A1 (0.90) SMN1; SMN2MAPTWDR5ALDH1A1MMP3
Tannin Pyrogallol SCHEMBL21448 0.79 ALDH1A1 (0.90) SMN1; SMN2MAPTWDR5ALDH1A1MMP3
SCHEMBL18674172 0.79 ALDH1A1 (0.90) SMN1; SMN2MAPTWDR5ALDH1A1MMP3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 — — EP disclosed
US-9061959-B2 Method for manufacturing optically active menthol TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-06-23 — — US disclosed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 — — US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 — — US disclosed
EP-2646150-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME Takasago International Corporation (JP) 2013-10-09 — — EP disclosed
EP-2647616-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL Takasago International Corporation (JP) 2013-10-09 — — EP disclosed
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-26 — — US disclosed
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 — — US disclosed
EP-2543437-A2 HOMOGENEOUS ASYMMETRIC HYDROGENATION CATALYST Takasago International Corporation (JP) 2013-01-09 — — EP disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 — — US disclosed
WO-2012074128-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-06-07 — — WO disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 — — US disclosed
EP-2457655-A2 Catalyst for asymmetric hydrogenation comprising peptides and method for manufacturing optically active carbonyl compound using the same Takasago International Corporation (JP) 2012-05-30 — — EP disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 — — US disclosed
US-3931338-A Method for production of hydroxyalkylglycol ethers HENKEL & CIE G.M.B.H. (DT) 1976-01-06 — — 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 SMN1; SMN2 3083/4885MAPT 2035/4885WDR5 1490/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 SMN1; SMN2 2241/4885MAPT 1810/4885WDR5 1583/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 SMN1; SMN2 1971/4885MAPT 1870/4885WDR5 1577/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 SMN1; SMN2 4325/4885MAPT 2206/4885WDR5 2548/4885

“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.