SCHEMBL4439739

SCHEMBL4439739

ClCc1ccccc1-c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.52
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ESR2 Q92731 2/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.41
DHFR P00374 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TRPA1 O75762 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CYP2A6 P11509 1/20 0.39
MAOB P27338 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL29114023 0.81 CYP2A6 (0.50) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL9456872 0.81 DPP4 (0.50) CYP2A6MAOBKMT2ACYP11B1CYP11B2
SCHEMBL27987589 0.81 DPP4 (0.59) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL11018452 0.81 TRPA1 (0.58) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL3101177 0.81 GSTP1 (0.52) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL477558 0.81 GSTP1 (0.52) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL258354 0.79 PTGER4 (0.49) CYP2A6KMT2A
SCHEMBL930976 0.79 GSTP1 (0.50) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL31179899 0.79 DPP4 (0.48) CYP2A6MAOBCYP1A2KMT2ACYP11B1
SCHEMBL28508645 0.79 GSTP1 (0.70) GSTP1HDAC4HDAC2HDAC8SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611008-A C3A receptor modulators and methods of use thereof ENCYSIVE PHARMACEUTICALS INC (US) 2009-12-23 CN disclosed
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
US-6271385-B1 FUNGICIDES (SUCH AS THOSE FOR USE IN FARMING AND HORTICULTURE). KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-1020441-A1 N-HETEROCYCLIC METHYLPROPYLAMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND GERMICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 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 (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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 GSTP1 3679/4885HDAC4 4521/4885HDAC2 4599/4885

“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.