SCHEMBL4406786

SCHEMBL4406786

Cc1cc(Br)cc(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA9 Q16790 4/20 0.38
PREP P48147 2/20 0.36
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL26763405 0.88 CA12 (0.42) CA12CA1CA9PREPALDH1A1
SCHEMBL23723314 0.88 CA12 (0.42) CA12CA1CA9PREP
SCHEMBL1416957 0.88 CA12 (0.42) CA12CA1CA9PREP
SCHEMBL5051918 0.88 CA12 (0.42) CA12CA1CA9PREPALDH1A1
SCHEMBL17029132 0.79 ALDH1A1 (0.44) CA12CA1CA9PREPALDH1A1
SCHEMBL565759 0.79 CA12 (0.37) CA12CA1CA9PREP
SCHEMBL15209768 0.79 CA12 (0.37) CA12CA1CA9PREP
SCHEMBL17922585 0.79 CA12 (0.37) CA12CA1CA9PREP
SCHEMBL12493503 0.79 CA12 (0.37) CA12CA1CA9PREP
SCHEMBL17318153 0.79 CA12 (0.47) CA12CA1CA9PREPALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230349907-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2023-11-02 US disclosed
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 US disclosed
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 US disclosed
US-9725436-B2 Cytochrome P450 inhibitors and their method of use CORTENDO AB (PUBL) (US) 2017-08-08 US disclosed
EP-2668152-B1 BICYCLIC TRAMADOL DERIVATIVES FOR CONTROLLING PAIN LILLY CO ELI (US) 2016-10-12 EP disclosed
US-20160221990-A1 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE HAYFIN SERVICES LLP (GB) 2016-08-04 US disclosed
US-20160221990-A1 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE HAYFIN SERVICES LLP (GB) 2016-08-04 US disclosed
US-20160221990-A1 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE HAYFIN SERVICES LLP (GB) 2016-08-04 US disclosed
EP-3044210-A2 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE Cortendo AB (publ) (US) 2016-07-20 EP disclosed
US-8802728-B2 Analgesic compounds, methods, and formulations ELI LILLY AND COMPANY (US) 2014-08-12 US disclosed
US-20130225679-A1 ANALGESIC COMPOUNDS, METHODS, AND FORMULATIONS ELI LILLY AND COMPANY (US) 2013-08-29 US disclosed
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 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 (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-20230349907-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF MAOB, LOX, LPO CA12 1829/4885CA1 1688/4885CA9 1034/4885
US-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 CA12 1714/4885CA1 1776/4885CA9 828/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 CA12 1714/4885CA1 1776/4885CA9 828/4885
US-20130225679-A1 ANALGESIC COMPOUNDS, METHODS, AND FORMULATIONS OPRL1, OPRK1, OPRM1 CA12 1056/4885CA1 573/4885CA9 743/4885
US-20160221990-A1 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE CYP11B1, CYP11B2, CYP21A2 CA12 2578/4885CA1 2260/4885CA9 1626/4885

“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.