SCHEMBL4432416

SCHEMBL4432416

CC(C)c1ccc(-c2ccccc2CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
PDK2 Q15119 1/20 0.42
DHODH Q02127 2/20 0.40
PDE10A Q9Y233 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
DPP4 P27487 1/20 0.39
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 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
SCHEMBL4436622 0.83 MAPT (0.42) KMT2AMAPTMEN1USP2LMNA
SCHEMBL4432471 0.82 PDCD1 (0.50) KMT2AMAPTPDCD1CD274PDK2
SCHEMBL5553131 0.81 PDCD1 (0.41) KMT2APDCD1CD274PDK2LTB4R2
SCHEMBL24582843 0.80 SLC6A4 (0.47) KMT2AMAPTMEN1USP2LMNA
SCHEMBL24582827 0.79 HRH3 (0.54) DHODHDRD2DRD4DRD3ALDH1A1
SCHEMBL8123369 0.78 PDCD1 (0.44) KMT2APDCD1CD274PDK2DHODH
SCHEMBL1497158 0.78 CYP2C19 (0.53) KMT2APDCD1CD274PDK2DPP4
SCHEMBL3786432 0.78 DPP4 (0.48) KMT2APDCD1CD274PDK2LTB4R2
SCHEMBL812762 0.78 PDCD1 (0.57) KMT2AMEN1PDCD1CD274PDK2
SCHEMBL7951583 0.77 PDCD1 (0.61) KMT2APDCD1CD274PDK2LTB4R2

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 KMT2A 2978/4885MAPT 4654/4885MEN1 2114/4885

“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.