SCHEMBL4522853

SCHEMBL4522853

CC(C)Oc1cc(Cl)ccc1CCl

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.45
HTR2A P28223 13/20 0.42
SLC6A4 P31645 12/20 0.42
KCNH2 Q12809 12/20 0.42
GAA P10253 1/20 0.42
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
TSHR P16473 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
TSPO P30536 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5110876 0.84 CSNK2A1 (0.44) CSNK2A1HTR2ASLC6A4KCNH2GAA
SCHEMBL4331816 0.81 CSNK2A1 (0.49) CSNK2A1KCNH2GAAMEN1LMNA
SCHEMBL20818373 0.80 CSNK2A1 (0.40) CSNK2A1HTR2ASLC6A4KCNH2HTR2C
SCHEMBL2152147 0.79 TTR (0.47) HTR2ASLC6A4KCNH2GAAKDM4C
SCHEMBL7846116 0.78 TSHR (0.48) HTR2AGAATSHRHTR2CHTR2B
SCHEMBL11223797 0.76 NOS2 (0.49) CSNK2A1HTR2ASLC6A4GAATSHR
SCHEMBL5119565 0.76 TSHR (0.46) HTR2ASLC6A4KCNH2GAAKDM5A
SCHEMBL7466628 0.76 CSNK2A1 (0.42) CSNK2A1HTR2AGAATSHRHTR2C
SCHEMBL3155854 0.75 SLC6A2 (0.43) SLC6A4KCNH2TSHRTSPOALDH1A1
SCHEMBL25974456 0.75 HTR2A (0.46) CSNK2A1HTR2ASLC6A4KCNH2TSHR

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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 CSNK2A1 2721/4885HTR2A 4228/4885SLC6A4 1689/4885
US-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 CSNK2A1 1135/4885HTR2A 2880/4885SLC6A4 1046/4885

“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.