SCHEMBL6664566

SCHEMBL6664566

COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.72
HDAC1 Q13547 5/20 0.57
HDAC6 Q9UBN7 5/20 0.57
MMP9 P14780 2/20 0.52
MMP8 P22894 2/20 0.52
PPARG P37231 2/20 0.51
PPARD Q03181 2/20 0.51
PPARA Q07869 2/20 0.51
CTSB P07858 2/20 0.51
CTSS P25774 2/20 0.51
CTSL P07711 1/20 0.51
ACACB O00763 1/20 0.50
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
ATM Q13315 1/20 0.49
CTSK P43235 1/20 0.48
TSHR P16473 1/20 0.48
MDM4 O15151 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
SCHEMBL7510467 1.00 TACR1 (0.72) TACR1HDAC1HDAC6MMP9MMP8
SCHEMBL8712763 1.00 TACR1 (0.72) TACR1HDAC1HDAC6MMP9MMP8
SCHEMBL11032925 0.96 TACR1 (0.67) TACR1HDAC1HDAC6MMP9MMP8
SCHEMBL11032928 0.96 TACR1 (0.67) TACR1HDAC1HDAC6MMP9MMP8
SCHEMBL22764885 0.89 HDAC1 (0.60) TACR1HDAC1HDAC6MMP9MMP8
SCHEMBL16684112 0.86 TACR1 (0.54) TACR1HDAC1HDAC6MMP9MMP8
SCHEMBL16254316 0.86 TACR1 (0.54) TACR1HDAC1HDAC6MMP9MMP8
SCHEMBL8712438 0.86 MME (0.65) TACR1MMP9MMP8ACACBMME
SCHEMBL607214 0.86 MME (0.65) TACR1MMP9MMP8ACACBMME
SCHEMBL29386502 0.86 MME (0.65) TACR1MMP9MMP8ACACBMME

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-1030854-B1 CATALYSTS FOR ASYMMETRIC SYNTHESIS CONTAINING RIGID CHIRAL LIGANDS PENN STATE RES FOUND (US) 2004-08-18 EP disclosed
US-6380416-B2 CHIRAL BIDENTATE PHOSPHINE LIGANDS WITH CYCLIC RINGS TO RESTRICT CONFORMATIONAL FLEXIBILITY OF THE LIGANDS TO ENHANCE EFFICIENCY; STEREOSELECTIVE HYDROGENATION OF KETONES TO ALCOHOLS, AND A-ACETOAMIDOCINNAMIC ACID TO ACYLAMINO ACIDS THE PENN STATE RESEARCH FOUNDATION 2002-04-30 US disclosed
US-20010047113-A1 Chiral bidentate phosphine ligands with cyclic rings to restrict conformational flexibility of the ligands to enhance efficiency; stereoselective hydrogenation of ketones to alcohols, and a-acetoamidocinnamic acid to acylamino acids THE PENN STATE RESEARCH FOUNDATION 2001-11-29 US disclosed
US-6278024-B1 AS CATALYSTS FOR ASSYMETRIC SYNTHESIS THE PENN STATE RESEARCH FOUNDATION 2001-08-21 US disclosed
US-6207868-B1 BASED ON CHIRAL BIDENTATE PHOSPHINE LIGANDS WITH CYCLIC RING STRUCTURES TO RESTRICT CONFORMATIONAL FLEXIBILITY, ASYMMETRIC SYNTHESIS OF ALCOHOLS BY ENANTIOSELECTIVE HYDROGENATION OF KETONES CATALYZED BY THE CHIRAL LIGANDS THE PENN STATE RESEARCH FOUNDATION 2001-03-27 US disclosed
US-5767082-A ANTIFERTILITY AGENTS SYNTEX (U.S.A.) INC. (US) 1998-06-16 US disclosed
US-4801577-A REPRODUCTION CONTROL SYNTEX (U.S.A.) INC. (US) 1989-01-31 US disclosed
EP-0049628-B1 NONAPEPTIDE AND DECAPEPTIDE ANALOGS OF LHRH, USEFUL AS LHRH ANTAGONISTS, METHODS OF MAKING THEM, AND THEIR PHARMACEUTICAL USES SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed
EP-0021234-B1 NONAPEPTIDE AND DECAPEPTIDE DERIVATIVES OF LUTEINIZING HORMONE RELEASING HORMONE, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYNTEX (U.S.A.) INC. (US) 1984-08-22 EP disclosed
US-4419347-A Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists SYNTEX (U.S.A.) INC. (US) 1983-12-06 US disclosed
US-4341767-A Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists SYNTEX INC. (US) 1982-07-27 US disclosed
EP-0049628-A2 Nonapeptide and decapeptide analogs of LHRH, useful as LHRH antagonists, methods of making them, and their pharmaceutical uses SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
EP-0021234-A1 Nonapeptide and decapeptide derivatives of luteinizing hormone releasing hormone, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1981-01-07 EP disclosed
US-4234571-A CONTRACEPTIVES, ANTIFERTILITY AGENTS SYNTEX (U.S.A.) INC. (US) 1980-11-18 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-20010047113-A1 Chiral bidentate phosphine ligands with cyclic rings to restrict conformational flexibility of the ligands to enhance efficiency; stereoselective hydrogenation of ketones to alcohols, and a-acetoamidocinnamic acid to acylamino acids ADH1A, AASDHPPT, AADAT TACR1 1564/4885HDAC1 578/4885HDAC6 724/4885

“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.