SCHEMBL717015

SCHEMBL717015

COc1ccc2c(C(Cl)C3CCCCC3)c(C)oc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.41
ALDH1A1 P00352 8/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 3/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 3/20 0.41
ESR1 P03372 2/20 0.41
APEX1 P27695 2/20 0.41
ESR2 Q92731 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NR4A1 P22736 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MAPT P10636 4/20 0.39
STAT1 P42224 1/20 0.39

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
SCHEMBL720155 0.85 RAB9A (0.43) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL719410 0.75 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL718939 0.75 RAB9A (0.54) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL718966 0.72 RAB9A (0.45) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL719422 0.70 CYP2C19 (0.64) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL8074385 0.68 MAPT (0.63) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL7097279 0.66 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL4795901 0.65 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL718063 0.65 RAB9A (0.57) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL717242 0.65 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10GAA

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
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885ALDH1A1 504/4885HPGD 486/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885ALDH1A1 504/4885HPGD 486/4885

“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.