SCHEMBL1016938

SCHEMBL1016938

C#CCCCCOCC[CH2]

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL1017569 0.98 CYP1A2 (0.35) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL1018384 0.98 CYP1A2 (0.35) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
Ammonia Solution, Strong SCHEMBL23015159 0.96 CYP1A2 (0.34) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL1014592 0.93
SCHEMBL9746942 0.88 CYP1A2 (0.35) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL9585705 0.87 CYP1A2 (0.39) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL19233495 0.85 MAPT (0.37) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL1016502 0.83
SCHEMBL1016318 0.82
SCHEMBL1016960 0.81 MAPT (0.37) CYP1A2CYP2D6MAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP claimed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 WO claimed
US-8247595-B2 Organic sulfur compound and its use for controlling harmful arthropod SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
EP-2152668-B1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPODS SUMITOMO CHEMICAL CO (JP) 2011-01-12 EP disclosed
US-20100160434-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2152668-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD Sumitomo Chemical Company, Limited (JP) 2010-02-17 EP disclosed
WO-2008143338-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-11-27 WO disclosed
EP-0543919-B1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS IN THE MANUFACTURE OF A MEDICAMENT FOR TREATMENT OF CNS DISEASES SEARLE & CO (US) 1996-04-10 EP disclosed
US-5462965-A Use of heterocyclic amino-alcohol compounds for treatment of CNS diseases GD SEARLE & CO. (US) 1995-10-31 US disclosed
EP-0543919-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES. SEARLE & CO (US) 1993-06-02 EP disclosed
WO-1992003131-A1 USE OF HETEROCYCLIC AMINO-ALCOHOL COMPOUNDS FOR TREATMENT OF CNS DISEASES G.D. SEARLE & CO. (US) 1992-03-05 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-20100160434-A1 ORGANIC SULFUR COMPOUND AND ITS USE FOR CONTROLLING HARMFUL ARTHROPOD C5, L3MBTL3, C1S CYP1A2 487/4885CYP2D6 1737/4885MAPT 4165/4885

“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.