SCHEMBL4579475

SCHEMBL4579475

CC(C(=O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
CYP2D6 P10635 2/20 0.48
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
KIF11 P52732 7/20 0.42
KCNN4 O15554 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
PTGS2 P35354 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 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
SCHEMBL23649574 0.84 CYP1A2 (0.38) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL3187683 0.83 CYP1A2 (0.46) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL13868824 0.83 CYP2D6 (0.50) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL4365780 0.80 CYP1A2 (0.47) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL430340 0.80 CYP1A2 (0.47) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL27583111 0.80 CYP2D6 (0.47) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL9683891 0.78 CYP2D6 (0.46) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL20184852 0.78 CYP2D6 (0.46) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL11426254 0.78 CYP2D6 (0.50) CYP1A2CYP2D6MAPTKMT2AKIF11
SCHEMBL17582896 0.78 CYP2D6 (0.46) CYP1A2CYP2D6MAPTKMT2AKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116896985-A Method for controlling harmful arthropods or harmful linear animals by using levoambamine 住友化学株式会社 2023-10-17 CN disclosed
US-7452908-B2 Amide derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-11-18 US disclosed
WO-2007124459-A2 INDEX-CONTRASTING-PHOTOACTIVE POLYMERIZABLE MATERIALS, AND ARTICLES AND METHODS USING SAME INPHASE TECHNOLOGIES, INC. (US) 2007-11-01 WO disclosed
US-20070248890-A1 Index Contrasting-Photoactive Polymerizable Materials, and Articles and Methods Using Same INPHASE TECHNOLOGIES, INC. (US) 2007-10-25 US disclosed
US-6809108-B1 SELECTIVE MUSCARINIC M3 RECEPTOR ANTAGONTS; REDUCED SIDE EFFECTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US disclosed
US-20040204369-A1 Novel amide derivatives MSD K.K. (JP) 2004-10-14 US disclosed
EP-1213281-B1 NOVEL AMIDE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-02-18 EP disclosed
EP-1213281-A1 NOVEL AMIDE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-06-12 EP disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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-20040204369-A1 Novel amide derivatives CHRM3, CHRM1, CHRM2 CYP1A2 676/4885CYP2D6 1047/4885MAPT 4544/4885

“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.