SCHEMBL4734773

SCHEMBL4734773

COC(=O)CCc1ccc(C)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CCR9 P51686 1/20 0.48
GAA P10253 1/20 0.44
CYP11B1 P15538 5/20 0.44
CYP11B2 P19099 5/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
P4HTM Q9NXG6 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP4Z1 Q86W10 1/20 0.40

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
SCHEMBL958369 0.85 CYP4F2 (0.61) TSHRSMN1; SMN2CYP4F2CYP4A11P4HTM
SCHEMBL7886665 0.83 ALDH1A1 (0.52) TSHRSMN1; SMN2GAACYP4F2CYP4A11
SCHEMBL15820303 0.82 CYP11B1 (0.48) TSHRCYP11B1CYP11B2ADRB2ADRB1
SCHEMBL5760402 0.82 KDM4E (0.47) SMN1; SMN2CYP11B1CYP11B2ADRB2ADRB1
SCHEMBL20037758 0.82 CYP11B1 (0.43) CYP11B1CYP11B2ADRB2ADRB1CYP4F2
SCHEMBL3629544 0.82 F2 (0.55) CYP11B1CYP11B2ADRB2ADRB1P4HTM
SCHEMBL990694 0.81 TSHR (0.64) TSHRSMN1; SMN2P4HTMLMNA
SCHEMBL9105603 0.81 TSHR (0.43) TSHRCYP11B1CYP11B2ADRB2ADRB1
SCHEMBL12295789 0.81 SMN1; SMN2 (0.55) TSHRSMN1; SMN2GAAP4HTMHDAC1
SCHEMBL1410550 0.81 CYP4F2 (0.42) CYP11B1CYP11B2ADRB2ADRB1CYP4F2

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-0070185-B1 PREPARATION OF LOWER ALKYL 2-FORMYL-3-(6-METHYL-3-PYRIDINYL)-PROPIONATES SMITHKLINE BECKMAN CORPORATION (US) 1985-04-10 EP claimed
EP-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 EP disclosed
WO-2014104235-A1 1,2,4-TRIS-SUBSTITUTED BENZENE COMPOUND AND METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 (JP) 2014-07-03 WO disclosed
US-8466154-B2 Methods and compositions related to wrapping of dehydrons THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-06-18 US disclosed
US-20130131076-A1 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-23 US disclosed
WO-2008070350-A9 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS UNIV TEXAS (US) 2008-10-23 WO disclosed
WO-2008070350-A2 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-06-12 WO disclosed
EP-0206294-B1 ALKYL ESTERS OF 3-HYDROXY-3-(2-METHYL-5-PYRIDYL)-PROPIONIC ACID LONZA AG (CH) 1990-05-16 EP disclosed
US-4723017-A Process for preparing 3-hydroxy-3-(2-methyl-5-pyridyl)-propionic acid alkyl esters LONZA LTD. (CH) 1988-02-02 US disclosed
US-4687856-A 3-hydroxy-3-(2-methyl-5-pyridyl)-propionic acid alkyl esters LONZA LTD. (CH) 1987-08-18 US disclosed
EP-0206294-A1 Alkyl esters of 3-hydroxy-3-(2-methyl-5-pyridyl)-propionic acid LONZA AG (CH) 1986-12-30 EP disclosed
EP-0070185-B1 PREPARATION OF LOWER ALKYL 2-FORMYL-3-(6-METHYL-3-PYRIDINYL)-PROPIONATES SMITHKLINE BECKMAN CORPORATION (US) 1985-04-10 EP disclosed
EP-0070185-A1 Preparation of lower alkyl 2-formyl-3-(6-methyl-3-pyridinyl)-propionates SMITHKLINE BECKMAN CORPORATION (US) 1983-01-19 EP 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-20130131076-A1 METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS DKK1, HPN, OSBP2 TSHR 4461/4885SMN1; SMN2 4521/4885CCR9 4107/4885

“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.