SCHEMBL9893860

SCHEMBL9893860

OB(O)c1ccccc1COc1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 12/20 0.47
ALOX5 P09917 4/20 0.44
PTGES O14684 2/20 0.44
LIPE Q05469 2/20 0.42
ENPP2 Q13822 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL30786460 1.00 MRGPRX4 (0.47) MRGPRX4ALOX5PTGESLIPEENPP2
SCHEMBL17236437 0.85 LIPE (0.50) MRGPRX4LIPEENPP2
SCHEMBL13144435 0.83 MRGPRX4 (0.47) MRGPRX4ALOX5PTGES
SCHEMBL2560808 0.82 ENPP2 (0.52) MRGPRX4LIPEENPP2HDAC8
SCHEMBL27094577 0.81 SLC6A4 (0.49) MRGPRX4ALOX5PTGES
SCHEMBL2558927 0.81 MAPT (0.46) MRGPRX4LIPEENPP2HDAC8
SCHEMBL16687431 0.80 ENPP2 (0.41) MRGPRX4LIPEENPP2HDAC8
SCHEMBL2561187 0.79 TP53 (0.56) MRGPRX4LIPEENPP2HDAC8
SCHEMBL2560802 0.77 MCL1 (0.51) MRGPRX4PTGES
SCHEMBL24831692 0.77 MRGPRX4 (0.44) MRGPRX4ALOX5PTGESHDAC8

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
US-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-06-27 US disclosed
US-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-06-27 US disclosed
US-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF STUDIENGESELLSCHAFT KOHLE GGMBH (DE) 2024-06-27 US disclosed
EP-4323348-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF Studiengesellschaft Kohle gGmbH (DE) 2024-02-21 EP disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20150315127-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2015-11-05 US disclosed
US-9024071-B2 Therapeutic compounds UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-05-05 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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 (3 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MRGPRX4 243/4885ALOX5 2253/4885PTGES 573/4885
US-20150315127-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MRGPRX4 243/4885ALOX5 2253/4885PTGES 573/4885
US-20240208922-A1 A TRIFLUOROMETHYL THIANTHRENIUM COMPOUND, PROCESS FOR PREPARING THE SAME AND THE USE THEREOF CYP4F3, GTF3C3, GTF3C4 MRGPRX4 705/4885ALOX5 2953/4885PTGES 3753/4885

“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.