SCHEMBL10205474

SCHEMBL10205474

O=c1ccc2cc(CBr)c(O)cc2o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.66
CA9 Q16790 9/20 0.66
CA12 O43570 7/20 0.66
MCL1 Q07820 5/20 0.66
KDM4E B2RXH2 5/20 0.66
AKR1B1 P15121 4/20 0.66
ALDH1A1 P00352 4/20 0.66
HPGD P15428 4/20 0.66
CASP1 P29466 4/20 0.66
CASP7 P55210 4/20 0.66
GAA P10253 4/20 0.66
HSD17B10 Q99714 4/20 0.66
GLA P06280 3/20 0.66
ERAP1 Q9NZ08 3/20 0.66
CYP3A4 P08684 3/20 0.66
ACHE P22303 3/20 0.66
CYP1A2 P05177 2/20 0.66
HIF1A Q16665 2/20 0.66
LMNA P02545 1/20 0.66
BCHE P06276 1/20 0.66

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
SCHEMBL15171953 0.85 CA9 (0.68) SRD5A1CA9CA12MCL1KDM4E
SCHEMBL27970804 0.85 CA9 (0.68) SRD5A1CA9CA12MCL1KDM4E
SCHEMBL30722445 0.82 SRD5A1 (0.64) SRD5A1CA9CA12MCL1KDM4E
SCHEMBL19774161 0.81 SRD5A1 (0.62) SRD5A1CA9CA12MCL1KDM4E
SCHEMBL10205466 0.80 ALDH1A1 (0.50) SRD5A1CA9CA12MCL1KDM4E
Esculetin SCHEMBL6867015 0.80 CA9 (1.00) SRD5A1CA9CA12MCL1KDM4E
Esculetin SCHEMBL24641 0.80 CA9 (1.00) SRD5A1CA9CA12MCL1KDM4E
Esculetin SCHEMBL29569228 0.80 CA9 (1.00) SRD5A1CA9CA12MCL1KDM4E
SCHEMBL7825655 0.80 SRD5A1 (1.00) SRD5A1CA9CA12MCL1KDM4E
Esculetin SCHEMBL8708221 0.78 CA9 (0.96) SRD5A1CA9CA12MCL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 US disclosed
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MOLECULAR PROBES, INC. 2017-03-16 US disclosed
US-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use LIFE TECHNOLOGIES CORP (US) 2016-05-19 US disclosed
US-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use LIFE TECHNOLOGIES CORP (US) 2016-05-19 US disclosed
US-8865891-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2014-10-21 US disclosed
US-8865891-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2014-10-21 US disclosed
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2013-04-11 US disclosed
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2013-04-11 US disclosed
US-8318450-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2012-11-27 US disclosed
US-8318450-B2 Optically-detectable enzyme substrates and their method of use Life Technologies Corporation (US) 2012-11-27 US disclosed
US-20120040380-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2012-02-16 US disclosed
US-20120040380-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE Life Technologies Corporation (US) 2012-02-16 US disclosed
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2009-02-19 US disclosed
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE INVITROGEN CORPORATION (US) 2009-02-19 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-20160139135-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA SRD5A1 1305/4885CA9 381/4885CA12 463/4885
US-20170073359-A1 Optically-Detectable Enzyme Substrates and Their Method of Use MGAM, LCT, GAA SRD5A1 1305/4885CA9 381/4885CA12 463/4885
US-20130090470-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA SRD5A1 1305/4885CA9 381/4885CA12 463/4885
US-20090047692-A1 OPTICALLY-DETECTABLE ENZYME SUBSTRATES AND THEIR METHOD OF USE MGAM, LCT, GAA SRD5A1 1305/4885CA9 381/4885CA12 463/4885

“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.