SCHEMBL15528629

SCHEMBL15528629

C=CCCOc1ccccc1C(=O)OCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
TSHR P16473 1/20 0.56
TBXAS1 P24557 1/20 0.54
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP3A4 P08684 2/20 0.47
ALK Q9UM73 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
CDC25B P30305 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
LIG1 P18858 1/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43

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
SCHEMBL7314986 0.85 ADRB2 (0.60) KDM4ETSHRTBXAS1ALDH1A1HSD17B10
SCHEMBL28576934 0.85 KDM4E (0.68) KDM4ETSHRALDH1A1ADRB2ADRB1
SCHEMBL8774940 0.84 KDM4E (0.47) KDM4ETSHRALDH1A1HSD17B10CYP3A4
SCHEMBL9969538 0.83 TSHR (0.65) KDM4ETSHRTBXAS1ALDH1A1HSD17B10
SCHEMBL8463263 0.82 HSD17B2 (0.48) KDM4ETSHRALDH1A1HSD17B10CYP3A4
SCHEMBL30480747 0.82 KDM4E (0.72) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL615999 0.82 KDM4E (0.72) KDM4EALDH1A1LMNAMAPTL3MBTL1
SCHEMBL5353531 0.82 TSHR (0.65) TSHRTBXAS1ALDH1A1HSD17B10CYP3A4
SCHEMBL29280961 0.82 TSHR (0.62) KDM4ETSHRTBXAS1ALDH1A1HSD17B10
Ammonia Solution, Strong SCHEMBL28026710 0.82 TSHR (0.62) KDM4ETSHRTBXAS1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844345-B1 MODULATORS OF THE RELAXIN RECEPTOR 1 US HEALTH (US) 2022-08-03 EP disclosed
US-10125112-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-11-13 US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY DEPT OF HEALTH AND HUMAN SERVICE (US) 2017-05-25 US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
US-9452973-B2 Modulators of the relaxin receptor 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-09-27 US disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 US disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 US disclosed
US-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES 2015-04-30 US disclosed
EP-2844345-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 The United States of America, as Represented by The Secretary, Department of Health and Human Services (US) 2015-03-11 EP disclosed
WO-2013165606-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-11-07 WO 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 (3 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-20150119426-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 KDM4E 4395/4885TSHR 34/4885TBXAS1 404/4885
US-10125112-B2 Modulators of the relaxin receptor 1 RXFP1, RXFP2, RXFP3 KDM4E 4395/4885TSHR 34/4885TBXAS1 404/4885
US-20170144984-A1 MODULATORS OF THE RELAXIN RECEPTOR 1 RXFP1, RXFP2, RXFP3 KDM4E 4395/4885TSHR 34/4885TBXAS1 404/4885

“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.