SCHEMBL754743

SCHEMBL754743

O=C(O)[CH]C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
GRIK1 P39086 2/20 0.37
ALDH1A1 P00352 2/20 0.35
EPHX1 P07099 5/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
EPHX2 P34913 1/20 0.35
GRIK2 Q13002 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL6043694 1.00 NPC1 (0.40) NPC1SMN1; SMN2HTTGAACES2
SCHEMBL11094656 0.97
SCHEMBL17062485 0.92
SCHEMBL382211 0.85
SCHEMBL7523411 0.76 CES2 (0.38) NPC1SMN1; SMN2HTTGAACES2
SCHEMBL176778 0.76 EPHX1 (0.41) NPC1SMN1; SMN2CES2CES1GRIK1
SCHEMBL6043876 0.76 EPHX1 (0.41) NPC1SMN1; SMN2CES2CES1GRIK1
SCHEMBL28033618 0.76 CES2 (0.38) NPC1SMN1; SMN2CES2CES1GRIK1
SCHEMBL3602770 0.74
SCHEMBL23749603 0.74 HTT (0.47) NPC1SMN1; SMN2HTTGAACES2

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 266 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102629-A1 Thioquinazolinone derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG. (DE) 2004-05-27 US claimed
EP-0820444-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1998-01-28 EP claimed
WO-1996032382-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1996-10-17 WO claimed
JP-9110869-A None JP disclosed
EP-4245815-A1 ANTIFOULING COATING MATERIAL COMPOSITION Nitto Kasei Co., Ltd. (JP) 2023-09-20 EP disclosed
CN-107690434-B Fused tricyclic imidazopyrazine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2021-07-30 CN disclosed
CN-108699348-B Coloring composition, ink for inkjet recording, inkjet recording method, and ink cartridge for inkjet printer 富士胶片株式会社 2021-03-12 CN disclosed
US-10894898-B2 Water-based ink for ink-jet recording and ink container BROTHER KOGYO KABUSHIKI KAISHA (JP) 2021-01-19 US disclosed
CN-105829307-B Tetrahydroimidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2020-07-24 CN disclosed
US-10711148-B2 Coloring composition, ink jet recording ink, ink jet recording method, and ink jet printer cartridge FUJIFILM CORPORATION (JP) 2020-07-14 US disclosed
EP-3080127-B1 IMIDAZOPYRIMIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 EP disclosed
WO-1997005116-A1 SUBSTITUTED AMINOURACILS BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 WO disclosed
US-5599386-A Recording liquid MITSUBISHI CHEMICAL CORPORATION (JP) 1997-02-04 US disclosed
WO-1997001541-A1 SUBSTITUTED CYANOPHENYL URACILS BAYER AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
WO-1996032382-A1 1-PHENYLPYRAZOLE-3-CARBOXAMIDES ACTING ON NEUROTENSIN RECEPTORS SANOFI (FR) 1996-10-17 WO disclosed
US-5480478-A Recording liquid MITSUBISHI CHEMICAL CORPORATION (JP) 1996-01-02 US disclosed
EP-0682088-A1 Monoazo dye having an aminonaphthodisulfonic acid as coupling component and recording liquid containing the same Mitsubishi Chemical Corporation (JP) 1995-11-15 EP disclosed
EP-0656407-A2 Recording liquid Mitsubishi Chemical Corporation (JP) 1995-06-07 EP disclosed
EP-0564960-A1 Imidazopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-10-13 EP disclosed
EP-0292305-B1 NOVEL THIAZOLIDIN-4-ONE DERIVATIVES AND ACID ADDITION SALTS THEREOF SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-07-29 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-20040102629-A1 Thioquinazolinone derivatives and combinatorial libraries thereof TTI1, RPS4Y1, TSNAX NPC1 2936/4885SMN1; SMN2 4688/4885HTT 2280/4885

“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.