SCHEMBL4437334

SCHEMBL4437334

CC(C)c1cccc(-c2ccccc2CCl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
PTPN5 P54829 2/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
NR4A2 P43354 1/20 0.38
PTGER1 P34995 2/20 0.36
PTGER4 P35408 2/20 0.36
PTGER3 P43115 2/20 0.36
PTGER2 P43116 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
KCNA5 P22460 3/20 0.36
KCNH2 Q12809 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
DPP4 P27487 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 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
SCHEMBL4432471 0.83 PDCD1 (0.50) RXRARXRBRXRGPTPN5BRD4
SCHEMBL258354 0.82 PTGER4 (0.49) PTGER1PTGER4PTGER3PTGER2DPP4
SCHEMBL9177215 0.82 RXRA (0.50) RXRARXRBRXRGPTPN5BRD4
SCHEMBL4436622 0.81 MAPT (0.42) KCNA5KCNH2DPP4PDCD1CD274
SCHEMBL25094126 0.78 TACR1 (0.39) RXRARXRBRXRGPTPN5BRD4
SCHEMBL9261820 0.77 CYP2A6 (0.52) RXRARXRBRXRGPTPN5BRD4
SCHEMBL13524543 0.76 PTGER4 (0.69) RXRARXRBRXRGNR4A2PTGER1
SCHEMBL9618739 0.76 RXRA (0.46) RXRARXRBRXRGPTPN5BRD4
SCHEMBL1309290 0.75 HTR7 (0.41) PTGER1PTGER4PTGER3PTGER2DPP4
SCHEMBL8635916 0.75 TRPA1 (0.46) RXRARXRBRXRGPTPN5BRD4

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-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

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 RXRA 395/4885RXRB 604/4885RXRG 561/4885

“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.