SCHEMBL3246509

SCHEMBL3246509

O=C(O)CCCCCc1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.69
RXFP1 Q9HBX9 1/20 0.69
LTB4R Q15722 2/20 0.68
HDAC3 O15379 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57
SLC6A3 Q01959 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
FFAR1 O14842 1/20 0.54
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL6405251 1.00 MAPT (0.69) MAPTRXFP1LTB4RHDAC3HDAC4
SCHEMBL9663875 1.00 MAPT (0.69) MAPTRXFP1LTB4RHDAC3HDAC4
SCHEMBL10276969 1.00 MAPT (0.69) MAPTRXFP1LTB4RHDAC3HDAC4
SCHEMBL11204036 1.00 MAPT (0.69) MAPTRXFP1LTB4RHDAC3HDAC4
SCHEMBL951697 1.00 MAPT (0.69) MAPTRXFP1LTB4RHDAC3HDAC4
Hydrochloric Acid SCHEMBL10952981 0.98 LTB4R (0.67) MAPTRXFP1LTB4RHDAC3HDAC4
SCHEMBL2418582 0.98 LTB4R (0.66) MAPTRXFP1LTB4RHDAC3HDAC4
SCHEMBL1570239 0.92 HDAC3 (0.67) MAPTRXFP1LTB4RHDAC3HDAC4
SCHEMBL27670746 0.90 HDAC3 (0.64) MAPTRXFP1LTB4RHDAC3HDAC4
SCHEMBL9671779 0.90 MAPT (0.83) MAPTRXFP1LTB4RHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110300791-A Quantum dot dispersion, self-luminous photosensitive resin composition, color filter, and image display device 东友精细化工有限公司 2019-10-01 CN disclosed
CN-101448836-B Pyridopyrimidinone derivatives HOFFMAN-LA ROCHE LTD. (CH) 2011-12-14 CN disclosed
EP-2029601-B1 PYRIDOPYRIMIDINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-06-02 EP disclosed
US-7572801-B2 Pyridopyrimidinone derivatives which are HM74A agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-11 US disclosed
CN-101448836-A Pyridopyrimidinone derivatives HOFFMANN LA ROCHE (CH) 2009-06-03 CN disclosed
EP-2029601-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-03-04 EP disclosed
US-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists HOFFMAN-LA ROCHE INC 2007-11-29 US disclosed
WO-2007134986-A1 PYRIDOPYRIMIDINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-5998433-A THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-12-07 US disclosed
CN-1160403-A Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-09-24 CN disclosed
EP-0785939-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 1997-07-30 EP disclosed
WO-1996011201-A1 SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-18 WO disclosed
US-4536346-A TREATMENT OF ATHEROSCLEROSIS AMERICAN CYANAMID COMPANY (US) 1985-08-20 US disclosed
EP-0124791-A1 Aralkanamidophenyl compounds AMERICAN CYANAMID COMPANY (US) 1984-11-14 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-20070275987-A1 Novel pyridopyprimidinone derivatives which are HM74A agonists GPR119, HCAR1, GPR84 MAPT 4450/4885RXFP1 171/4885LTB4R 116/4885

“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.