SCHEMBL6435547

SCHEMBL6435547

C=CC(F)C1=CCOc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
MAOB P27338 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
SCHEMBL24097382 0.74 PKM (0.38) PKMTSHRMAOB
SCHEMBL28569718 0.70 PKM (0.35) PKMTSHR
SCHEMBL294469 0.67 TSHR (0.42) PKMTSHRMAOB
SCHEMBL4564855 0.67 TSHR (0.35) PKMTSHRMAOB
SCHEMBL29845468 0.67 PTGS1 (0.39) PKMTSHR
SCHEMBL294470 0.64 PKM (0.42) PKMTSHRMAOB
SCHEMBL5541737 0.64 PKM (0.42) PKMTSHRMAOB
SCHEMBL276292 0.64 PKM (0.47) PKMTSHRMAOB
SCHEMBL7039789 0.64 PKM (0.42) PKMTSHRMAOB
SCHEMBL30218838 0.64 PKM (0.42) PKMTSHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044080-A1 Treatment of dyspareunia with topically administered nitroglycerin formulations VIVUS, INC. 2004-03-04 US claimed
US-20040034017-A1 4-fluoroalkyl-2h-benzopyrans anti-estogenic activity BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-19 US claimed
US-6844336-B2 4-fluoroalkyl-2h-benzopyrans with anti-estogenic activity SCHERING AG (DE) 2005-01-18 US disclosed
US-6844336-B2 4-fluoroalkyl-2h-benzopyrans with anti-estogenic activity SCHERING AG (DE) 2005-01-18 US disclosed
US-6844336-B2 4-fluoroalkyl-2h-benzopyrans with anti-estogenic activity SCHERING AG (DE) 2005-01-18 US disclosed
EP-1272481-B1 4-FLUOROALKYL-2H-BENZOPYRANS WITH ANTI-ESTROGENIC ACTIVITY SCHERING AG (DE) 2004-04-21 EP disclosed
US-20040044080-A1 Treatment of dyspareunia with topically administered nitroglycerin formulations VIVUS, INC. 2004-03-04 US disclosed
US-20040034017-A1 4-fluoroalkyl-2h-benzopyrans anti-estogenic activity BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-19 US disclosed
US-20040034017-A1 4-fluoroalkyl-2h-benzopyrans anti-estogenic activity BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-19 US disclosed
US-20040034017-A1 4-fluoroalkyl-2h-benzopyrans anti-estogenic activity BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-19 US disclosed
EP-1272481-A1 4-FLUOROALKYL-2H-BENZOPYRANS WITH ANTI-ESTROGENIC ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2003-01-08 EP disclosed
WO-2001068634-A1 4-FLUOROALKYL-2H-BENZOPYRANS WITH ANTI-ESTROGENIC ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-20 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 (2 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-20040044080-A1 Treatment of dyspareunia with topically administered nitroglycerin formulations PDE12, PDE3A, PDE2A PKM 148/4885TSHR 3371/4885MAOB 694/4885
US-20040034017-A1 4-fluoroalkyl-2h-benzopyrans anti-estogenic activity ESR2, CYP19A1, GPER1 PKM 1109/4885TSHR 192/4885MAOB 2007/4885

“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.