SCHEMBL285628

SCHEMBL285628

C=CC(=O)OC(CC(C)(C)Sc1ccccc1)CC(C)(C)Sc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
THRB P10828 4/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
THRA P10827 1/20 0.32
MAPT P10636 1/20 0.31
AKT1 P31749 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
FFAR1 O14842 1/20 0.30
MTNR1A P48039 3/20 0.30
MTNR1B P49286 3/20 0.30

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
SCHEMBL720462 0.81 ELANE (0.35) HCAR2ALDH1A1MAPTPOLBMAPK1
SCHEMBL285817 0.77 THRB (0.38) THRBALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL285117 0.76 THRB (0.50) HCAR2THRBALDH1A1CYP3A4CYP2C9
SCHEMBL717492 0.75 CYP2C19 (0.43) ALDH1A1CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL5092633 0.75 MTNR1A (0.43) HCAR2THRBALDH1A1AKT1MAPK1
SCHEMBL12112886 0.75 KDM4E (0.43) THRBALDH1A1POLB
SCHEMBL16709686 0.74 HCAR2 (0.51) HCAR2THRBALDH1A1
SCHEMBL28863896 0.74 HCAR2 (0.67) HCAR2THRBALDH1A1CYP3A4CYP2C19
SCHEMBL41557 0.74 HCAR2 (0.67) HCAR2THRBALDH1A1CYP3A4CYP2C19
SCHEMBL28662033 0.73 THRB (0.38) HCAR2THRBALDH1A1CYP3A4CYP2C9

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-8729203-B2 Polymer composition CONTAMAC LIMITED (GB) 2014-05-20 US disclosed
EP-2427509-A1 POLYMER COMPOSITION Contamac Limited (GB) 2012-03-14 EP disclosed
US-20120053313-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2012-03-01 US disclosed
WO-2010128266-A1 POLYMER COMPOSITION CONTAMAC LIMITED (GB) 2010-11-11 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 (1 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-20120053313-A1 POLYMER COMPOSITION UACA, CRYAA, CRYZ HCAR2 2402/4885THRB 4392/4885ALDH1A1 3560/4885

“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.