SCHEMBL5776604

SCHEMBL5776604

COC(=O)c1ccc2cc(CO)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.54
CYP4A11 Q02928 3/20 0.51
LOXL2 Q9Y4K0 2/20 0.51
LCK P06239 1/20 0.51
CA2 P00918 3/20 0.51
CA12 O43570 2/20 0.51
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA14 Q9ULX7 2/20 0.51
CA3 P07451 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
CYP4F2 P78329 2/20 0.50
CA1 P00915 2/20 0.49
XDH P47989 1/20 0.49
DHODH Q02127 2/20 0.48
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 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
SCHEMBL3149487 0.95 CYP4A11 (0.50) PTPN11CYP4A11LOXL2LCKCA2
SCHEMBL4940300 0.92 KDM4E (0.55) PTPN11CA2CA12CA7CA9
SCHEMBL17585028 0.88 NPC1 (0.49) PTPN11CYP4A11LOXL2LCKCA2
SCHEMBL12015399 0.88 PTPN11 (0.55) PTPN11CYP4A11LOXL2LCKCA2
SCHEMBL9939192 0.87 EGFR (0.51) CYP4A11LOXL2CA2CA12CA7
SCHEMBL29365729 0.85 PTPN11 (0.68) PTPN11LCKCA2CA12CA7
SCHEMBL69025 0.85 PTPN11 (0.68) PTPN11LCKCA2CA12CA7
SCHEMBL30917343 0.85 PTPN11 (0.53) PTPN11CYP4A11LOXL2LCKCA2
SCHEMBL16485169 0.85 PTPN11 (0.53) PTPN11CYP4A11LOXL2LCKCA2
SCHEMBL7440151 0.85 PTPN11 (0.53) PTPN11CYP4A11LOXL2LCKCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649245-B2 Cyclopropylamine compound as LSD1 inhibitor and use thereof HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-05-16 US disclosed
US-11649245-B2 Cyclopropylamine compound as LSD1 inhibitor and use thereof HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-05-16 US disclosed
US-20220119401-A1 CYCLOPROPYLAMINE COMPOUND AS LSD1 INHIBITOR AND USE THEREOF HELIOEAST SCIENCE & TECHNOLOGY CO., LTD. (CN) 2022-04-21 US disclosed
EP-3851440-A1 CYCLOPROPYLAMINE COMPOUND AS LSD1 INHIBITOR AND USE THEREOF Medshine Discovery Inc. (CN) 2021-07-21 EP disclosed
WO-2020052649-A1 CYCLOPROPYLAMINE COMPOUND AS LSD1 INHIBITOR AND USE THEREOF 南京明德新药研发有限公司 2020-03-19 WO disclosed
EP-2906543-B1 ACYLPIPERAZINES AS INHIBITORS OF TRANSGLUTAMINASE AND THEIR USE IN MEDICINE UNIV ASTON (GB) 2019-01-02 EP disclosed
US-9656978-B2 Acylpiperazines as inhibitors of transglutaminase and their use in medicine ASTON UNIVERSITY (GB) 2017-05-23 US disclosed
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
EP-1284267-B1 TRIAZOLE COMPOUNDS HAVING AMIDE LINKAGE SANKYO CO (JP) 2004-12-15 EP disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US disclosed
US-6653330-B2 Such as 4'-chloro-4-(5-(3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4 -triazol-1-y)butyl)-1,3-dioxan-2-yl)-benzanilide; antifungal activity SANKYO COMPANY, LIMITED (JP) 2003-11-25 US disclosed
US-20030176480-A1 For therapy and prophylaxis of fungal infections SANKYO COMPANY, LIMITED (JP) 2003-09-18 US disclosed
EP-1284267-A1 TRIAZOLE COMPOUNDS HAVING AMIDE LINKAGE Sankyo Company, Limited (JP) 2003-02-19 EP disclosed
US-4518609-A ANTITUMOR, SKIN DISORDERS SRI INTERNATIONAL (US) 1985-05-21 US disclosed
US-4456618-A ANTITUMOR AGENTS, TREATMENT OF SKIN DISORDERS SRI INTERNATIONAL (US) 1984-06-26 US disclosed
US-4130719-A POLY(METHYLENEBENZOATES STANDARD OIL COMPANY (INDIANA) (US) 1978-12-19 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-20220119401-A1 CYCLOPROPYLAMINE COMPOUND AS LSD1 INHIBITOR AND USE THEREOF KDM1B, KDM1A, KDM7A PTPN11 1243/4885CYP4A11 172/4885LOXL2 645/4885
US-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN PTPN11 2150/4885CYP4A11 3001/4885LOXL2 3974/4885
US-20030176480-A1 For therapy and prophylaxis of fungal infections NAT1, ERG28, DPM1 PTPN11 1306/4885CYP4A11 239/4885LOXL2 2752/4885
US-11649245-B2 Cyclopropylamine compound as LSD1 inhibitor and use thereof KDM1B, KDM1A, KDM7A PTPN11 1243/4885CYP4A11 172/4885LOXL2 645/4885

“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.