SCHEMBL5477158

SCHEMBL5477158

OCCC1CCCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.55
TBXAS1 P24557 1/20 0.55
SIGMAR1 Q99720 3/20 0.51
IDO1 P14902 1/20 0.47

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
SCHEMBL1567623 0.91 MTNR1A (0.54) CYP19A1TBXAS1SIGMAR1IDO1
SCHEMBL80413 0.89 SIGMAR1 (0.56) CYP19A1TBXAS1SIGMAR1
SCHEMBL31522110 0.87 CYP19A1 (0.49) CYP19A1TBXAS1SIGMAR1IDO1
SCHEMBL1125535 0.87 CYP19A1 (0.49) CYP19A1TBXAS1SIGMAR1IDO1
SCHEMBL18440732 0.85 CYP19A1 (0.55) CYP19A1TBXAS1SIGMAR1IDO1
SCHEMBL6077542 0.84 CYP19A1 (0.54) CYP19A1TBXAS1SIGMAR1IDO1
SCHEMBL10551218 0.84 CYP19A1 (0.54) CYP19A1TBXAS1SIGMAR1IDO1
SCHEMBL5541899 0.84 CYP19A1 (0.54) CYP19A1TBXAS1SIGMAR1
SCHEMBL1567240 0.84 CYP19A1 (0.54) CYP19A1TBXAS1SIGMAR1
SCHEMBL7898127 0.82 IDO1 (0.52) CYP19A1TBXAS1SIGMAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 US disclosed
US-6133446-A Heterocyclic compounds for the treatment of CNS and cardiovascular disorders PHARMACIA & UPJOHN COMPANY (US) 2000-10-17 US disclosed
US-5877317-A Heterocyclic compounds for the treatment of CNS and cardiovascular disorders PHARMACIA & UPJOHN COMPANY (US) 1999-03-02 US disclosed
EP-0737189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1996-10-16 EP disclosed
WO-1995018118-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1995-07-06 WO disclosed
EP-0135177-B1 BENZOCYCLOALKANE DERIVATIVES DAIICHI SEIYAKU CO., LTD. (JP) 1989-12-06 EP disclosed
EP-0105735-A2 Herbicidal ureas and process for preparation UNION CARBIDE CORPORATION (US) 1984-04-18 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-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents TNF, CXCL8, MPO CYP19A1 707/4885TBXAS1 15/4885SIGMAR1 1559/4885

“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.