SCHEMBL16701110

SCHEMBL16701110

C#CCOc1ccc(C(=O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.57
CYP19A1 P11511 2/20 0.54
PKM P14618 1/20 0.51
NR4A2 P43354 2/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
GSTP1 P09211 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.46
SCD O00767 1/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PLA2G4B P0C869 1/20 0.46

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
SCHEMBL4398919 0.95 PKM (0.56) SRD5A2PKMNR4A2NR4A1NR4A3
SCHEMBL12517362 0.93 CYP19A1 (0.59) SRD5A2CYP19A1GSTP1CA12CA1
SCHEMBL11529553 0.90 GAA (0.60) SRD5A2CYP19A1GAASCDMAPK1
SCHEMBL30640594 0.88 CYP19A1 (0.57) SRD5A2CYP19A1PKMCA1CA2
SCHEMBL26673845 0.88 CYP19A1 (0.57) SRD5A2CYP19A1PKMCA1CA2
SCHEMBL12516200 0.86 CYP19A1 (0.54) SRD5A2CYP19A1PKMGSTP1CA12
SCHEMBL29644530 0.85 CYP19A1 (0.56) SRD5A2CYP19A1NR4A2GSTP1CA12
SCHEMBL16364112 0.85 CYP19A1 (0.53) CYP19A1NR4A2GSTP1CA12CA1
SCHEMBL14901648 0.85 ALDH1A1 (0.53) SRD5A2CYP19A1GSTP1CA12CA1
SCHEMBL26673955 0.85 CYP19A1 (0.56) SRD5A2CYP19A1GSTP1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022187342-A1 METHODS AND COMPOSITIONS FOR DETECTING PROTEIN TARGETS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-09-09 WO disclosed
EP-3967260-A1 LIGHT-ACTUATED FLEXIBLE INSTRUMENT Karlsruher Institut für Technologie (DE) 2022-03-16 EP disclosed
EP-3512860-B1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB PHARMA INC (CA) 2020-11-25 EP disclosed
WO-2018049534-A1 NUCLEOSIDE AND NUCLEOTIDE ANALOGUES BEARING A QUATERNARY ALL-CARBON STEREOGENIC CENTER AT THE 2' POSITION AND METHODS OF USE AS A CARDIOPROTECTIVE AGENT LCB PHARMA INC. (CA) 2018-03-22 WO disclosed
US-20170307592-A1 Neuroprotective Chemicals and Methods for Identifying and Using Same UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2017-10-26 US disclosed
US-9645139-B2 Neuroprotective chemicals and methods for identifying and using same BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-05-09 US disclosed
US-20170030897-A1 Neuroprotective Chemicals and Methods for Identifying and Using Same UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2017-02-02 US disclosed
US-9243281-B2 Neuroprotective chemicals and methods for identifying and using same BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-26 US disclosed
WO-2015070237-A9 NEUROPROTECTIVE CHEMICALS AND METHODS FOR IDENTIFYING AND USING SAME BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-07-23 WO disclosed
WO-2015070237-A1 NEUROPROTECTIVE CHEMICALS AND METHODS FOR IDENTIFYING AND USING SAME BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-05-14 WO disclosed
US-20150132783-A1 Neuroprotective Chemicals and Methods for Identifying and Using Same UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2015-05-14 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 (1 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-20170307592-A1 Neuroprotective Chemicals and Methods for Identifying and Using Same NLN, AIFM1, AIFM2 SRD5A2 3985/4885CYP19A1 4251/4885PKM 401/4885

“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.