SCHEMBL6575818

SCHEMBL6575818

CN(c1ccccc1)C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CFTR P13569 1/20 0.41
FFAR2 O15552 1/20 0.41
OPRL1 P41146 3/20 0.37
PIK3CD O00329 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
OPRM1 P35372 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL1720308 0.85 HTT (0.41) FFAR2OPRL1KDM4EMAPTLMNA
SCHEMBL28096957 0.83 MEN1 (0.44) NPC1RAB9AKDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL23292665 0.83 HTT (0.39) OPRL1KDM4EMAPTLMNAMEN1
SCHEMBL12082444 0.82 ALDH1A1 (0.41) NPC1RAB9ACFTRFFAR2PIK3CD
SCHEMBL11693073 0.81 ALDH1A1 (0.47) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL15014118 0.81 DDB1 (0.44) CFTRFFAR2PIK3CDKDM4EMAPT
SCHEMBL25353462 0.81 KDM1A (0.38) NPC1RAB9ACFTRFFAR2PIK3CD
SCHEMBL15830059 0.80 PRMT5 (0.39) NPC1RAB9ACFTRPRMT5WDR77
SCHEMBL25356320 0.79 KDM1A (0.37) NPC1RAB9ACFTRFFAR2PIK3CD
SCHEMBL19227318 0.79 ALDH1A1 (0.50) NPC1RAB9AKDM4ESMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022184-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2017-09-27 EP disclosed
EP-1247807-B1 PROCESSES FOR PRODUCING TETRAHYDROPYRANYL-4-SULFONATE AND 4-AMINOTETRAHYDROPYRAN COMPOUND UBE INDUSTRIES (JP) 2004-04-28 EP disclosed
US-6653489-B2 Reacting 3-buten-1-ol with a formaldehyde compound and an organic sulfonic acid UBE INDUSTRIES, INC. (JP) 2003-11-25 US disclosed
US-20030004359-A1 Processes for producing tetrahydropyranyl-4-sulfonates and 4-aminotetrahydropyran compound UBE INDUSTRIES, LTD. (JP) 2003-01-02 US disclosed
EP-1247807-A1 PROCESSES FOR PRODUCING TETRAHYDROPYRANYL-4-SULFONATE AND 4-AMINOTETRAHYDROPYRAN COMPOUND Ube Industries, Ltd. (JP) 2002-10-09 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-20030004359-A1 Processes for producing tetrahydropyranyl-4-sulfonates and 4-aminotetrahydropyran compound HPD, DHPS, FDPS NPC1 4583/4885RAB9A 4840/4885CFTR 4798/4885

“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.