SCHEMBL4667833

SCHEMBL4667833

C=CC(CO)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
TRPA1 O75762 7/20 0.41
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.37
GSR P00390 1/20 0.36
HTR2A P28223 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RIPK1 Q13546 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL14654862 1.00 CYP2C19 (0.42) CYP2C19TRPA1ALDH1A1LMNAGSR
SCHEMBL5560718 0.83 TRPA1 (0.44) CYP2C19TRPA1ALDH1A1LMNAKDM4E
SCHEMBL3785691 0.79 TRPA1 (0.38) CYP2C19TRPA1ALDH1A1LMNAGSR
SCHEMBL6016109 0.79 CYP2C19 (0.39) CYP2C19ALDH1A1HTR2ATAAR1KDM4E
SCHEMBL15951418 0.78 TRPA1 (0.37) CYP2C19TRPA1ALDH1A1LMNAHTR2A
SCHEMBL4553372 0.77 TAAR1 (0.52) CYP2C19HTR2ATAAR1CYP2D6CYP3A4
SCHEMBL9921450 0.77 LMNA (0.46) CYP2C19TRPA1ALDH1A1LMNAHTR2A
SCHEMBL15393365 0.77 CYP2C19 (0.38) CYP2C19TRPA1ALDH1A1HTR2ATAAR1
SCHEMBL19233902 0.77 TAAR1 (0.52) CYP2C19HTR2ATAAR1CYP2D6CYP3A4
SCHEMBL11773608 0.77 CYP2C19 (0.42) CYP2C19ALDH1A1HTR2ATAAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1434604-A4 4-HALOETHENYLPHENYL TROPANE:SEROTONIN TRANSPORTER IMAGING AGENTS UNIV EMORY (US) 2008-01-09 EP disclosed
US-6843979-B2 4-haloethenylphenyl tropane:serotonin transporter imaging agents EMORY UNIVERSITY (US) 2005-01-18 US disclosed
EP-1212103-B1 4-FLUOROALKYL-3-HALOPHENYL NORTROPANES UNIV EMORY (US) 2004-11-03 EP disclosed
EP-1434604-A2 4-HALOETHENYLPHENYL TROPANE:SEROTONIN TRANSPORTER IMAGING AGENTS Emory University (US) 2004-07-07 EP disclosed
CN-1143870-C Impact modifier for amorphous aromatic polyester ������������� 2004-03-31 CN disclosed
EP-1212103-A4 4-FLUOROALKYL-3-HALOPHENYL NORTROPANES UNIV EMORY (US) 2003-05-02 EP disclosed
WO-2003031452-A2 4-HALOETHENYLPHENYL TROPANE:SEROTONIN TRANSPORTER IMAGING AGENTS EMORY UNIVERSITY (US) 2003-04-17 WO disclosed
US-20020099184-A1 4-Haloethenyphenyl tropane:serotonin transporter imaging agents ENERGY, UNITED STATES DEPARTMENT OF 2002-07-25 US disclosed
EP-1212103-A1 4-FLUOROALKYL-3-HALOPHENYL NORTROPANES Emory University (US) 2002-06-12 EP disclosed
US-6399042-B1 HALOGEN RADIOLABELED IMAGING AGENTS FOR VISUALIZING THE LOCATION AND DENSITY OF SEROTONIN TRANSPORTER BY POSITRON EMISSION TOMOGRAPHY EMORY UNIVERSITY 2002-06-04 US disclosed
CN-1302830-A Impact modifier concentrate for amorphous aromatic polyester ROHM & HAAS (US) 2001-07-11 CN disclosed
CN-1288912-A Modified phenylethylene-acrylonitrile resin blended composition and product formed therefrom ROHM & HAAS (US) 2001-03-28 CN disclosed
WO-2000064491-A1 4-FLUOROALKYL-3-HALOPHENYL NORTROPANES EMORY UNIVERSITY (US) 2000-11-02 WO disclosed
CN-1233670-A Impact modifier for amorphous aromatic polyester ROHM & HAAS (US) 1999-11-03 CN disclosed
EP-0410466-B1 Substituted phenylalkylimidazole compounds HODOGAYA CHEMICAL CO LTD (JP) 1996-04-03 EP disclosed
EP-0470282-B1 Agricultural or horticultural fungicide HODOGAYA CHEMICAL CO LTD (JP) 1994-06-15 EP disclosed
EP-0470282-A1 Agricultural or horticultural fungicide HODOGAYA CHEMICAL CO., LTD. (JP) 1992-02-12 EP disclosed
US-5057533-A 1-((2,4-Di(cl-),3-(ch3-)phenyl)-ch(-ch2-ch2-ch3)-)imidazole HODOGAYA CHEMICAL CO., LTD. (JP) 1991-10-15 US disclosed
US-5057145-A PHENYLALKYLIMIDAZOLE COMPOUNDS AS FUNGICIDES HODOGAYA CHEMICAL CO., LTD. (JP) 1991-10-15 US disclosed
EP-0410466-A2 Substituted phenylalkylimidazole compounds HODOGAYA CHEMICAL CO., LTD. (JP) 1991-01-30 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-20020099184-A1 4-Haloethenyphenyl tropane:serotonin transporter imaging agents SLC6A4, SLC6A2, SLC6A3 CYP2C19 1298/4885TRPA1 458/4885ALDH1A1 2667/4885

“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.