SCHEMBL1740428

SCHEMBL1740428

Cc1[nH]c2ccccc2c1CCC(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
MAPT P10636 4/20 0.71
KDM4E B2RXH2 3/20 0.71
GAA P10253 1/20 0.71
CASP1 P29466 1/20 0.71
CASP7 P55210 1/20 0.71
EGFR P00533 3/20 0.66
SRC P12931 2/20 0.66
HTT P42858 2/20 0.66
TSHR P16473 1/20 0.66
POLB P06746 1/20 0.64
TDP1 Q9NUW8 1/20 0.59
PABPC1 P11940 1/20 0.58
ALOX15 P16050 1/20 0.58
HTR6 P50406 1/20 0.58
APEX1 P27695 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
CYP3A4 P08684 1/20 0.54
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL30343681 1.00 ALDH1A1 (0.71) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL9153503 0.92 KDM4E (0.69) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL5207930 0.87 EGFR (0.66) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL4557305 0.87 ALDH1A1 (0.66) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL28687424 0.86 KDM4E (0.67) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL379103 0.83 KDM4E (1.00) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL29612371 0.83 KDM4E (1.00) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL7127236 0.83 EGFR (0.71) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL18509728 0.83 GPR17 (0.72) ALDH1A1MAPTKDM4EGAACASP1
SCHEMBL18509485 0.83 GPR17 (0.57) ALDH1A1MAPTKDM4EGAACASP1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024140687-A1 S1PR2 REGULATOR AND USE THEREOF 北京昌平实验室 2024-07-04 WO disclosed
WO-2018065607-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2018-04-12 WO disclosed
EP-3305781-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN-RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum (DE) 2018-04-11 EP disclosed
EP-2800748-B1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2017-03-29 EP disclosed
EP-2800748-B1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2017-03-29 EP disclosed
US-9453014-B2 Cyclic amide derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase and uses thereof CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2016-09-27 US disclosed
US-9453014-B2 Cyclic amide derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase and uses thereof CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2016-09-27 US disclosed
US-9453014-B2 Cyclic amide derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase and uses thereof CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2016-09-27 US disclosed
US-20150158860-A1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11 - BETA - HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2015-06-11 US disclosed
US-20150158860-A1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11 - BETA - HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2015-06-11 US disclosed
WO-2010084499-A2 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2010-07-29 WO disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
CN-1492874-A Macrolide antibiotics 2004-04-28 CN disclosed
EP-0861248-A1 INDOLEALKYL DERIVATIVES OF BENZODIOXANMETHYLAMINE AS 5-HT1A RECEPTOR LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-09-02 EP disclosed
WO-1997017343-A1 INDOLEALKYL DERIVATIVES OF BENZODIOXANMETHYLAMINE AS 5-HT1A RECEPTOR LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-15 WO disclosed
EP-0079564-B1 3-(1-SUBSTITUTED-4-PIPERIDYL)-1,2-BENZISOXAZOLES, A PROCESS FOR THE PREPARATION THEREOF, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-03-19 EP disclosed
EP-0079564-A1 3-(1-Substituted-4-piperidyl)-1,2-benzisoxazoles, a process for the preparation thereof, a pharmaceutical composition comprising the same, and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1983-05-25 EP disclosed
US-4352811-A NEUROLEPTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-10-05 US disclosed
US-4148796-A γ-Piperidinobutyrophenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-04-10 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 (2 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-20150158860-A1 CYCLIC AMIDE DERIVATIVES AS INHIBITORS OF 11 - BETA - HYDROXYSTEROID DEHYDROGENASE AND USES THEREOF HSD11B1, HSD11B2, HSD17B1 ALDH1A1 282/4885MAPT 4547/4885KDM4E 1987/4885
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885MAPT 3557/4885KDM4E 1204/4885

“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.