SCHEMBL3328668

SCHEMBL3328668

COCOc1ccc(Br)cc1C(C)=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.68
CYP2C19 P33261 3/20 0.52
CYP3A4 P08684 3/20 0.52
TSHR P16473 3/20 0.52
CYP2D6 P10635 2/20 0.52
HIF1A Q16665 1/20 0.52
CYP2C9 P11712 2/20 0.51
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.43
LRRK2 Q5S007 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
MAOA P21397 2/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL30943166 0.87 PTGDR2 (0.51) PTGDR2CYP2C19CYP3A4TSHRCYP2D6
SCHEMBL4207937 0.87 PTGDR2 (0.51) PTGDR2CYP2C19CYP3A4TSHRCYP2D6
SCHEMBL27823240 0.84 CYP2C19 (0.50) PTGDR2CYP2C19CYP3A4TSHRCYP2D6
SCHEMBL13064184 0.83 PTGDR2 (0.71) PTGDR2CYP3A4TSHRSMN1; SMN2HSD17B10
SCHEMBL3084121 0.82 CYP3A4 (0.50) PTGDR2CYP2C19CYP3A4TSHRCYP2D6
SCHEMBL32678019 0.81 PTGDR2 (0.73) PTGDR2CYP2C19TSHRCYP2C9ALDH1A1
SCHEMBL11277902 0.81 PTGDR2 (0.73) PTGDR2CYP2C19TSHRCYP2C9ALDH1A1
SCHEMBL32678021 0.81 PTGDR2 (0.73) PTGDR2CYP2C19TSHRCYP2C9ALDH1A1
SCHEMBL1821903 0.81 PTGDR2 (0.63) PTGDR2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL17973700 0.81 PTGDR2 (0.68) PTGDR2CYP3A4TSHRALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
US-8242129-B2 6-phenylpyrimidinones as PIM modulators EXELIXIS, INC. (US) 2012-08-14 US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2074103-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2008133955-A1 6-PHENYLPYRIMIDINONES AS PIM MODULATORS EXELIXIS, INC. (US) 2008-11-06 WO disclosed
EP-0975573-B1 TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY ALLERGAN SALES INC (US) 2002-09-18 EP disclosed
US-6235923-B1 RETINOIDS AND CELL DIFFERENTIATION ALLERGAN SALES, INC. 2001-05-22 US disclosed
US-6225494-B1 TREATING SKIN DISORDERS, REDUCED SIDE EFFECTS ALLERGAN SALES, INC. 2001-05-01 US disclosed
US-6037488-A COMPOUNDS SUCH AS 4-((4'-ISOPROPOXY-3'-(1-M-TOLYL)VINYL)PHENYLETHYNYL)BENZOIC ACID ALLERGAN SALES, INC. (US) 2000-03-14 US disclosed
EP-0975573-A1 TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY Allergan Sales, Inc. (US) 2000-02-02 EP disclosed
WO-1998047854-A1 TRISUBSTITUTED PHENYL DERIVATIVES HAVING RETINOID AGONIST, ANTAGONIST OR INVERSE AGONIST TYPE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1998-10-29 WO disclosed
EP-0537742-B1 Styrene derivatives MITSUBISHI CHEM CORP (JP) 1996-08-21 EP disclosed
US-5514711-A ANTICARCINOGENIC AGENTS; SIDE EFFECT REDUCTION MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-07 US disclosed
EP-0537742-A2 Styrene derivatives Mitsubishi Chemical Corporation (JP) 1993-04-21 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-20100135954-A1 6-Phenylpyrimidinones as PIM Modulators PIM1, PIM2, PIM3 PTGDR2 2049/4885CYP2C19 154/4885CYP3A4 525/4885

“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.