SCHEMBL5075124

SCHEMBL5075124

CCC=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.69
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
ABCB11 O95342 1/20 0.69
NR3C1 P04150 1/20 0.69
PGR P06401 1/20 0.69
HTR2A P28223 1/20 0.69
OPRK1 P41145 1/20 0.69
HTR2B P41595 1/20 0.69
CYP3A4 P08684 1/20 0.61

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
SCHEMBL5075123 1.00 CYP19A1 (0.69) CYP19A1KDM4EALDH1A1ABCB11NR3C1
SCHEMBL19452426 0.89 CYP19A1 (0.64) CYP19A1KDM4EALDH1A1ABCB11NR3C1
SCHEMBL5081660 0.89 CYP19A1 (0.71) CYP19A1KDM4EALDH1A1ABCB11NR3C1
SCHEMBL5081661 0.89 CYP19A1 (0.71) CYP19A1KDM4EALDH1A1ABCB11NR3C1
SCHEMBL19452225 0.87 CYP19A1 (0.64) CYP19A1KDM4EALDH1A1ABCB11NR3C1
Exemestane SCHEMBL19452231 0.81 CYP19A1 (1.00) CYP19A1KDM4EALDH1A1ABCB11NR3C1
Exemestane SCHEMBL6215 0.81 CYP19A1 (1.00) CYP19A1KDM4EALDH1A1ABCB11NR3C1
Exemestane SCHEMBL21698489 0.81 CYP19A1 (1.00) CYP19A1KDM4EALDH1A1ABCB11NR3C1
Exemestane SCHEMBL1781618 0.81 CYP19A1 (1.00) CYP19A1KDM4EALDH1A1ABCB11NR3C1
Exemestane SCHEMBL13794245 0.81 CYP19A1 (1.00) CYP19A1KDM4EALDH1A1ABCB11NR3C1

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
EP-1937251-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS COMPRISING A COMBINATION OF A SELECTIVE ESTROGEN RECEPTOR MODULATOR AND AN AROMATASE INHIBITOR Pfizer Products Inc. (US) 2008-07-02 EP disclosed
WO-2006114702-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS COMPRISING A COMBINATION OF A SELECTIVE ESTROGEN RECEPTOR MODULATOR AND AN AROMATASE INHIBITOR PFIZER PRODUCTS INC. (US) 2006-11-02 WO disclosed
WO-2005027916-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS COMPRISING COMBINATIONS OF 2-ALKYLIDENE-19-NOR-VITAMIN D DERIVATIVES AND AROMATASE INHIBITORS PFIZER PRODUCTS INC. (US) 2005-03-31 WO disclosed
US-20050065126-A1 Pharmaceutical compositions and methods comprising combinations of 2-alkylidene-19-nor-vitamin D derivatives and aromatase inhibitors LEE ANDREW G (US) 2005-03-24 US disclosed
US-4904650-A Substituted androsta-1,4-diene-3,17-diones FARMITALIA CARLO ERBA S.P.A. (IT) 1990-02-27 US disclosed
US-4808616-A 6-substituted androsta-1,4-diene-3,17-diones FARMITALIA CARLO ERBA S.R.L. (IT) 1989-02-28 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-20050065126-A1 Pharmaceutical compositions and methods comprising combinations of 2-alkylidene-19-nor-vitamin D derivatives and aromatase inhibitors CYP19A1, CYP2R1, CYP24A1 CYP19A1 1/4885KDM4E 1222/4885ALDH1A1 247/4885

“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.