SCHEMBL7197239

SCHEMBL7197239

Fc1c(C(F)F)ccc(C(F)(F)F)c1F

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.51
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
KIF11 P52732 2/20 0.31
TRPA1 O75762 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
SCHEMBL18878435 0.80 PDE2A (0.59) PDE2AIDO1TDO2TRPA1
SCHEMBL63989 0.80 IDO1 (0.51) PDE2AIDO1TDO2TRPA1
SCHEMBL28453327 0.80 PDE2A (0.45) PDE2AIDO1TDO2KIF11
SCHEMBL20288912 0.77 PDE2A (0.56) PDE2AIDO1TDO2
SCHEMBL21180452 0.77 PDE2A (0.56) PDE2AIDO1TDO2KIF11
SCHEMBL14981116 0.72 PDE2A (0.44) PDE2AIDO1TDO2
SCHEMBL8160495 0.70 PDE2A (0.40) PDE2AKIF11
SCHEMBL21985627 0.69 PDE2A (0.48) PDE2AKIF11
SCHEMBL18087810 0.69 PDE2A (1.00) PDE2A
SCHEMBL10938882 0.69 PDE2A (0.43) PDE2AKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596885-B2 As antiestrogenic and anti-proliferative agent AVENTIS PHARMA S.A. (FR) 2003-07-22 US disclosed
US-20020072624-A1 New 19-Nor steroids having a thiocarbonated chain in position 11beta, their preparation process and the intermediates of this process, their use as medicaments and compositions ROUSSEL UCLAF 2002-06-13 US disclosed
US-6281204-B1 ANTIESTROGENS Roussel, Hoechst Marion (FR) 2001-08-28 US disclosed
EP-0623140-B1 NOVEL 19-NOR STEROIDS HAVING A THIOCARBON-CONTAINING CHAIN IN THE 11BETA POSITION, A METHOD FOR PREPARING SAME AND INTERMEDIATES THEREFOR, MEDICINAL USES THEREOF AND COMPOSITIONS CONTAINING SAID STEROIDS HOECHST MARION ROUSSEL INC (FR) 1998-04-22 EP disclosed
EP-0623140-A1 NOVEL 19-NOR STEROIDS HAVING A THIOCARBON-CONTAINING CHAIN IN THE 11BETA POSITION, A METHOD FOR PREPARING SAME AND INTERMEDIATES THEREFOR, MEDICINAL USES THEREOF AND COMPOSITIONS CONTAINING SAID STEROIDS ROUSSEL UCLAF (FR) 1994-11-09 EP disclosed
WO-1993013123-A1 NOVEL 19-NOR STEROIDS HAVING A THIOCARBON-CONTAINING CHAIN IN THE 11BETA POSITION, A METHOD FOR PREPARING SAME AND INTERMEDIATES THEREFOR, MEDICINAL USES THEREOF AND COMPOSITIONS CONTAINING SAID STEROIDS ROUSSEL-UCLAF (FR) 1993-07-08 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-20020072624-A1 New 19-Nor steroids having a thiocarbonated chain in position 11beta, their preparation process and the intermediates of this process, their use as medicaments and compositions HSD17B11, NR5A1, CYP19A1 PDE2A 3343/4885IDO1 4750/4885TDO2 3741/4885

“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.