SCHEMBL5312945

SCHEMBL5312945

Nc1cc(C(=O)CCCCCl)cc2c1OCC2

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.48
PTGS1 P23219 3/20 0.48
PARP1 P09874 2/20 0.37
NPC1 O15118 1/20 0.33
TTR P02766 1/20 0.33
CTNNB1 P35222 2/20 0.32
WNT3A P56704 2/20 0.32
ALOX5 P09917 1/20 0.30
PRKCI P41743 1/20 0.30

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
SCHEMBL4861134 0.83 PTGS2 (0.47) PTGS2PTGS1PARP1NPC1CTNNB1
SCHEMBL4859405 0.81 PTGS2 (0.48) PTGS2PTGS1PARP1CTNNB1WNT3A
SCHEMBL5576987 0.80 PTGS1 (0.45) PTGS2PTGS1PARP1CTNNB1WNT3A
SCHEMBL5311603 0.79 PTGS2 (0.47) PTGS2PTGS1PARP1NPC1ALOX5
SCHEMBL5307876 0.77 PTGS2 (0.45) PTGS2PTGS1ALOX5
SCHEMBL4860602 0.77 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL4857154 0.77 PTGS2 (0.47) PTGS2PTGS1ALOX5
SCHEMBL4860657 0.76 PTGS2 (0.41) PTGS2PTGS1NPC1TTRCTNNB1
SCHEMBL4857484 0.76 CTNNB1 (0.56) NPC1CTNNB1WNT3APRKCI
SCHEMBL4856564 0.75 PTGS2 (0.45) PTGS2PTGS1ALOX5

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
WO-2007052831-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-10 WO disclosed
WO-2007052831-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-10 WO disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US 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-20070099986-A1 Preventives/remedies for urinary disturbance REN, GLS, ATP6V1B1 PTGS2 638/4885PTGS1 344/4885PARP1 3355/4885

“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.