SCHEMBL4590802

SCHEMBL4590802

CC(O)CCCCCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.54
SIGMAR1 Q99720 10/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
S1PR2 O95136 1/20 0.49
S1PR4 O95977 1/20 0.49
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
TRPV1 Q8NER1 1/20 0.48

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
SCHEMBL10037075 1.00 TRPA1 (0.54) TRPA1SIGMAR1MAPTRXFP1S1PR2
SCHEMBL16058107 0.98 TRPA1 (0.51) TRPA1SIGMAR1
SCHEMBL10473806 0.98 TRPA1 (0.51) TRPA1SIGMAR1
SCHEMBL560219 0.98 TRPA1 (0.51) TRPA1SIGMAR1
SCHEMBL10472566 0.92 CYP2D6 (0.49) SIGMAR1
SCHEMBL560468 0.92 CYP2D6 (0.49) SIGMAR1
SCHEMBL2571201 0.92 CYP2D6 (0.49) SIGMAR1
SCHEMBL11807780 0.89 HDAC2 (0.50)
SCHEMBL8716921 0.89 HDAC2 (0.50)
SCHEMBL8716910 0.89 HDAC2 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275032-A1 Pyridazinone compounds ANADYS PHARMACEUTICALS, INC. 2008-11-06 US disclosed
WO-2008082725-A1 PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-07-10 WO disclosed
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 US disclosed
US-4886624-A STABLE; DRIERS RHONE-POULENC, INC. (US) 1989-12-12 US disclosed
US-4680411-A Pyrano[2,3-g]indoles useful as anti-ulcerous, anti-inflammatory and antalgic agent SOCIETE DE RECHERCHES INDUSTRIELLES (FR) 1987-07-14 US disclosed
EP-0043752-B1 PYRANOINDOLE DERIVATIVE AND PROCESS FOR ITS PREPARATION SOCIETE DE RECHERCHES INDUSTRIELLES S.O.R.I. Société anonyme dite: (FR) 1984-06-13 EP disclosed
US-4436915-A ANTIULCER, ANTIINFLAMMATORY SOCIETE DE RECHERCHES INDUSTRIELLES (FR) 1984-03-13 US disclosed
EP-0043752-A1 Pyranoindole derivative and process for its preparation SOCIETE DE RECHERCHES INDUSTRIELLES S.O.R.I. Société anonyme dite: (FR) 1982-01-13 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-20080275032-A1 Pyridazinone compounds HAVCR2, PLPBP, CYP3A43 TRPA1 2974/4885SIGMAR1 2740/4885MAPT 2355/4885

“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.