SCHEMBL6025838

SCHEMBL6025838

CC(=O)C(=Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.40
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 2/20 0.39
AKR1C1 Q04828 2/20 0.39
FSCN1 Q16658 1/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 2/20 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
SCHEMBL6808290 1.00 GABRA1 (0.51) GABRA1GABRG2GABRB3TDP1ALDH1A1
SCHEMBL3822846 0.91 GABRA1 (0.47) GABRA1GABRG2GABRB3TDP1ALDH1A1
SCHEMBL3822843 0.91 GABRA1 (0.47) GABRA1GABRG2GABRB3TDP1ALDH1A1
Valine SCHEMBL6025321 0.86 GABRA1 (0.40) GABRA1GABRG2GABRB3TDP1ALDH1A1
SCHEMBL12784706 0.83 GABRA1 (0.44) GABRA1GABRG2GABRB3TDP1ALDH1A1
SCHEMBL2080588 0.83 GABRA1 (0.44) GABRA1GABRG2GABRB3TDP1ALDH1A1
SCHEMBL2080589 0.83 GABRA1 (0.44) GABRA1GABRG2GABRB3TDP1ALDH1A1
SCHEMBL10801388 0.80 GABRA1 (0.57) GABRA1GABRG2GABRB3TDP1ALDH1A1
SCHEMBL11088825 0.80 GABRA1 (0.57) GABRA1GABRG2GABRB3TDP1ALDH1A1
SCHEMBL11088827 0.80 GABRA1 (0.57) GABRA1GABRG2GABRB3TDP1ALDH1A1

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
EP-1638570-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2006-03-29 EP disclosed
US-20040259887-A1 Cannabinoid receptor ligands and uses thereof PFIZER INC 2004-12-23 US disclosed
WO-2004110453-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2004-12-23 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-20040259887-A1 Cannabinoid receptor ligands and uses thereof CNR1, CNR2, GPR18 GABRA1 41/4885GABRG2 77/4885GABRB3 69/4885

“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.