SCHEMBL2843937

SCHEMBL2843937

c1ccc(-c2cccc(Cc3cccc(-c4ccccc4)c3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 1/20 0.59
▸ HRH3 Q9Y5N1 1/20 0.56
▸ CALM1 P0DP23 1/20 0.55
▸ ACMSD Q8TDX5 1/20 0.55
▸ PTPN5 P54829 1/20 0.54
▸ IDH1 O75874 2/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ GGPS1 O95749 2/20 0.47
▸ AOC3 Q16853 2/20 0.47
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ PRMT6 Q96LA8 1/20 0.47
▸ PRKCI P41743 1/20 0.47
▸ BCL2 P10415 1/20 0.46

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
SCHEMBL31498881 0.97 CALM1 (0.60) AGXTHRH3CALM1ACMSDPTPN5
SCHEMBL9625135 0.97 CALM1 (0.60) AGXTHRH3CALM1ACMSDPTPN5
SCHEMBL31498880 0.97 CALM1 (0.60) AGXTHRH3CALM1ACMSDPTPN5
SCHEMBL29040199 0.95 ACMSD (0.61) AGXTHRH3CALM1ACMSDPTPN5
SCHEMBL29130816 0.87 MAOA (0.65) AGXTHRH3ACMSDPTPN5TAAR1
SCHEMBL22698824 0.87 CYP3A4 (0.60) AGXTHRH3ACMSDPTPN5TAAR1
SCHEMBL6908607 0.86 CALM1 (0.67) AGXTHRH3CALM1ACMSDPTPN5
SCHEMBL20083146 0.85 TAAR1 (0.58) AGXTHRH3ACMSDPTPN5TAAR1
SCHEMBL28573022 0.85 ACMSD (0.53) AGXTHRH3CALM1ACMSDPTPN5
SCHEMBL7138806 0.85 CYP3A4 (0.58) AGXTHRH3CALM1ACMSDPTPN5

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 14 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-2647616-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL Takasago International Corporation (JP) 2013-10-09 — — EP 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
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

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 AGXT 2677/4885HRH3 62/4885CALM1 2577/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 AGXT 2536/4885HRH3 65/4885CALM1 3544/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 AGXT 2840/4885HRH3 75/4885CALM1 3344/4885
US-20130253228-A1 METHOD FOR MANUFACTURING OPTICALLY ACTIVE MENTHOL MSMO1, GGPS1, MAN1B1 AGXT 3141/4885HRH3 800/4885CALM1 2487/4885

“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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