SCHEMBL4432471

SCHEMBL4432471

CC(C)c1cccc(-c2ccccc2CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 3/20 0.50
CD274 Q9NZQ7 3/20 0.50
RXRA P19793 2/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
PTPN5 P54829 2/20 0.42
PDK2 Q15119 1/20 0.41
KMT2A Q03164 1/20 0.41
NR4A2 P43354 1/20 0.41
PTGER1 P34995 2/20 0.40
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
DPP4 P27487 1/20 0.39
KCNA5 P22460 2/20 0.39
KCNH2 Q12809 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MDM4 O15151 1/20 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
SCHEMBL4437334 0.83 RXRA (0.41) PDCD1CD274RXRARXRBRXRG
SCHEMBL4432416 0.82 KMT2A (0.47) PDCD1CD274PTPN5PDK2KMT2A
SCHEMBL9177215 0.82 RXRA (0.50) RXRARXRBRXRGPTPN5PDK2
SCHEMBL13524543 0.79 PTGER4 (0.69) RXRARXRBRXRGKMT2ANR4A2
SCHEMBL9875654 0.79 RXRA (0.53) RXRARXRBRXRGPTPN5PDK2
SCHEMBL9627854 0.79 RXRA (0.43) PDCD1CD274RXRARXRBRXRG
SCHEMBL25094126 0.78 TACR1 (0.39) RXRARXRBRXRGPTPN5NR4A2
SCHEMBL904267 0.78 PTPN5 (0.47) RXRARXRBRXRGPTPN5
SCHEMBL24721526 0.77 ALDH1A1 (0.55) RXRARXRBRXRGPTPN5NR4A2
SCHEMBL3859904 0.77 PDCD1 (0.59) PDCD1CD274PDK2PTGER1PTGER4

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 PDCD1 4563/4885CD274 2998/4885RXRA 395/4885

“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.