SCHEMBL2425789

SCHEMBL2425789

CCCCCC(=O)c1cc(F)c(OC)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GALK1 P51570 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PAK1 Q13153 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
THRA P10827 3/20 0.43
THRB P10828 3/20 0.43
HSD17B3 P37058 6/20 0.42
HTR7 P34969 1/20 0.42
TRPV1 Q8NER1 2/20 0.40
TPMT P51580 1/20 0.40

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
SCHEMBL10355841 0.80 HSD17B3 (0.46) GALK1MEN1KMT2APAK1THRA
SCHEMBL10355838 0.78 THRB (0.48) THRATHRBHSD17B3
SCHEMBL10605850 0.76 THRA (0.57) MEN1KMT2APAK1ALDH1A1GAA
SCHEMBL7834034 0.76 MEN1 (0.56) MEN1KMT2APAK1KDM4EALDH1A1
SCHEMBL1457795 0.76 TPMT (0.67) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL2797148 0.76 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL10323753 0.76 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL10355978 0.76 ESR1 (0.57) MEN1KMT2APAK1ALDH1A1THRA
SCHEMBL24722331 0.75 MEN1 (0.55) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL6624909 0.75 PDE4B (0.55) MEN1KMT2AKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257264-B1 ESTROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
US-7087599-B2 Estrogen receptor modulators MERCK & CO., INC. (US) 2006-08-08 US disclosed
US-20050137192-A1 Estrogen receptor modulators PARKER DANN R JR (US) 2005-06-23 US disclosed
US-20030027840-A1 Estrogen receptor modulators MERCK SHARP & DOHME LLC 2003-02-06 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 (2 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-20030027840-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA GALK1 2684/4885MEN1 3259/4885KMT2A 1157/4885
US-20050137192-A1 Estrogen receptor modulators GPER1, ESR2, ESRRA GALK1 2684/4885MEN1 3259/4885KMT2A 1157/4885

“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.