SCHEMBL4918535

SCHEMBL4918535

COc1ccc(Cl)cc1C1CCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
PTGDR2 Q9Y5Y4 6/20 0.42
PTGDR Q13258 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
PDE1B Q01064 2/20 0.40
PDE2A O00408 1/20 0.40
PDE8B O95263 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 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
SCHEMBL1617555 0.80 HTR1A (0.39) TP53PTGDR2PTGDRMEN1KMT2A
SCHEMBL21451920 0.79 KMT2A (0.37) PTGDR2PTGDRMEN1KMT2AKDM4E
SCHEMBL15874851 0.79 CYP19A1 (0.47) MEN1KMT2AALDH1A1TDP1L3MBTL1
SCHEMBL30496207 0.79 CYP19A1 (0.47) MEN1KMT2AALDH1A1TDP1L3MBTL1
SCHEMBL1617634 0.79 HTR1A (0.38) TP53PTGDR2PTGDRMEN1KMT2A
SCHEMBL1616886 0.79 CYP19A1 (0.47) MEN1KMT2AALDH1A1TDP1L3MBTL1
SCHEMBL1617475 0.77 GAA (0.47) TP53MEN1KMT2AALDH1A1TSHR
SCHEMBL18418762 0.77 ALDH1A1 (0.52) MEN1KMT2AALDH1A1POLBHTR2B
SCHEMBL8502186 0.77 POLB (0.45) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL14640344 0.75 PTGDR2 (0.62) PTGDR2PTGDRMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234335-A1 Cyclohexene Compounds GLAXO GROUP LIMITED (GB) 2008-09-25 US disclosed
EP-1670764-A1 CYCLOHEXENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037794-A1 CYCLOHEXENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20080234335-A1 Cyclohexene Compounds C1R, CYP1B1, CYP2C9 TP53 4072/4885PTGDR2 414/4885PTGDR 223/4885

“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.