SCHEMBL3605162

SCHEMBL3605162

CCc1cc(Cl)c(OCOC)cc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MRGPRX4 Q96LA9 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
RHEB Q15382 1/20 0.41
HPGD P15428 2/20 0.40
MAPK14 Q16539 1/20 0.40
PPARG P37231 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 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
SCHEMBL3607984 0.84 PDCD1 (0.51) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3608070 0.83 L3MBTL1 (0.45) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3613087 0.82 SMN1; SMN2 (0.42) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL24402682 0.80 KDM4E (0.49) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3596125 0.79 PDE5A (0.46) KDM4ESMN1; SMN2NPC1RAB9ANFKB1
SCHEMBL6035928 0.78 MAOB (0.49) L3MBTL1
SCHEMBL18768221 0.77 LMNA (0.40) KDM4EALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL1578301 0.76 NPC1 (0.47) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16097608 0.76 MAOB (0.50) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6202378 0.76 MAPT (0.60) MRGPRX4MAPK14L3MBTL1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US disclosed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP disclosed
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 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 (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-20100249165-A1 PDZ DOMAIN MODULATORS PDLIM5, PSD, PDCD6IP KDM4E 2483/4885ALDH1A1 3764/4885CYP1A2 4874/4885
US-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R KDM4E 2049/4885ALDH1A1 365/4885CYP1A2 137/4885

“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.