SCHEMBL1710674

SCHEMBL1710674

O=Cc1cc(SCC2CCCCC2)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.42
ERN1 O75460 8/20 0.40
ESR2 Q92731 1/20 0.40
CDK1 P06493 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
ERCC1 P07992 1/20 0.37
ERCC4 Q92889 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SRC P12931 1/20 0.34

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
SCHEMBL1710734 0.83 AR (0.42) ARGPR84NPC1LMNARAB9A
SCHEMBL1710987 0.83 AR (0.45) ARGPR84NPC1RAB9ASMN1; SMN2
SCHEMBL1710728 0.81 AR (0.59) ARERN1LMNANPSR1
SCHEMBL13400236 0.74 AR (0.41) ARGPR84
SCHEMBL1710817 0.72 GPR84 (0.39) ARGPR84ERCC1ERCC4NPC1
SCHEMBL1722332 0.72 AR (0.42) ARGPR84
SCHEMBL1710780 0.71 AR (0.39) ARGPR84NPC1LMNATP53
SCHEMBL13400249 0.71 CTSK (0.49) ARNPC1LMNATP53MAPK1
SCHEMBL3899644 0.70 ERN1 (0.55) ERN1ESR2CDK1
SCHEMBL1710626 0.70 AR (0.39) ARGPR84NPC1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344451-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-20 EP disclosed
US-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-15 US disclosed
WO-2010028088-A2 SULFUR-LINKED COMPOUNDS FOR TREATING OPTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-03-11 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-20100093865-A1 SULPHUR-LINKED COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, MPST, CLN6 AR 4092/4885ERN1 3482/4885ESR2 1832/4885

“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.