SCHEMBL440461

SCHEMBL440461

N=P(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA5A P35218 1/20 0.52
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CFTR P13569 1/20 0.46
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ESR1 P03372 3/20 0.40
ESR2 Q92731 2/20 0.40
SRC P12931 1/20 0.40
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
MMP8 P22894 1/20 0.35
MMP14 P50281 1/20 0.35
CA14 Q9ULX7 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3068225 0.81 CA2 (0.52) CA2CA4CA5AALDH1A1MEN1
SCHEMBL3067334 0.77 CA2 (0.48) CA2CA4CA5AALDH1A1MEN1
SCHEMBL361668 0.73 CA2 (0.43) CA2CA4CA5AALDH1A1MEN1
SCHEMBL22471970 0.73 CA2 (0.58) CA2CA4CA5AALDH1A1MEN1
SCHEMBL31574395 0.73 CA2 (0.58) CA2CA4CA5AALDH1A1MEN1
SCHEMBL2932036 0.72 CA2 (0.47) CA2CA4CA5AALDH1A1MEN1
SCHEMBL10710709 0.71 CA2 (0.41) CA2CA4CA5AALDH1A1MEN1
Hydrochloric Acid SCHEMBL996153 0.71 CA2 (0.41) CA2CA4CA5AALDH1A1MEN1
Hydrochloric Acid SCHEMBL2582115 0.71 CA2 (0.41) CA2CA4CA5AALDH1A1MEN1
Water SCHEMBL7532602 0.71 CA2 (0.41) CA2CA4CA5AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152464-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2010-06-17 US claimed
EP-1828099-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS Cardimone Pharma Corporation (CA) 2007-09-05 EP claimed
WO-2006088525-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2006-08-24 WO claimed
US-20060094880-A9 Synthetic process for trans-aminocyclohexyl ether compounds BARRETT ANTHONY G M 2006-05-04 US claimed
WO-2005016242-A2 SYNTHETIC PROCESS FOR TRANS-AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2005-02-24 WO claimed
US-20050038256-A1 Synthetic process for trans-aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2005-02-17 US claimed
US-20230131867-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF SLOAN KETTERING INST CANCER RES (US) 2023-04-27 US disclosed
EP-3357931-B1 METHODS OF SYNTHESIS OF TRITERPENE PROSAPOGENINS AND TRITERPENE SAPONINS SLOAN KETTERING INST CANCER RES (US) 2020-07-22 EP disclosed
EP-3357931-A1 METHODS OF SYNTHESIS OF TRITERPENE PROSAPOGENINS AND TRITERPENE SAPONINS Sloan Kettering Institute For Cancer Research (US) 2018-08-08 EP disclosed
EP-2280987-B1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN KETTERING INST CANCER RES (US) 2018-05-23 EP disclosed
US-20170283450-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF MEMORIAL SLOAN-KETTERING INST FOR CANCER RES (US) 2017-10-05 US disclosed
US-9718850-B2 Triterpene saponins, methods of synthesis and uses thereof MEMORIAL SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-08-01 US disclosed
US-9586899-B2 Synthetic process for aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2017-03-07 US disclosed
WO-2006138673-A2 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2006-12-28 WO disclosed
WO-2006088525-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2006-08-24 WO disclosed
US-20060094880-A9 Synthetic process for trans-aminocyclohexyl ether compounds BARRETT ANTHONY G M 2006-05-04 US disclosed
WO-2005016242-A2 SYNTHETIC PROCESS FOR TRANS-AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2005-02-24 WO disclosed
US-20050038256-A1 Synthetic process for trans-aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2005-02-17 US disclosed
US-6084081-A Lewis X derivatives DAIKIN INDUSTRIES, LTD. (JP) 2000-07-04 US disclosed
EP-0930315-A1 LEWIS X DERIVATIVES DAIKIN INDUSTRIES, LTD. (JP) 1999-07-21 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 (5 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-20060094880-A9 Synthetic process for trans-aminocyclohexyl ether compounds AKR1C3, CBR1, CBR3 CA2 1395/4885CA4 1149/4885CA5A 1141/4885
US-20230131867-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF LSS, CYP51A1, TLR7 CA2 3692/4885CA4 1704/4885CA5A 2556/4885
US-20050038256-A1 Synthetic process for trans-aminocyclohexyl ether compounds AKR1C3, CBR1, CBR3 CA2 1395/4885CA4 1149/4885CA5A 1141/4885
US-20100152464-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS DDC, PAICS, CYP4F2 CA2 4608/4885CA4 3349/4885CA5A 3253/4885
US-20170283450-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF LSS, CYP51A1, TLR7 CA2 3692/4885CA4 1704/4885CA5A 2556/4885

“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.