SCHEMBL3069385

SCHEMBL3069385

CC1(C)CC(=C(c2ccc(F)cc2)c2ccc(C=CC(=O)O)cc2)CC(C)(C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.47
CYP26A1 O43174 1/20 0.43
HSD11B1 P28845 1/20 0.43
MAOB P27338 4/20 0.41
MAOA P21397 2/20 0.41
ESR1 P03372 4/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
ESR2 Q92731 2/20 0.40
HCAR2 Q8TDS4 2/20 0.40
CA12 O43570 1/20 0.40
AKR1B10 O60218 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
PKM P14618 1/20 0.40
TYR P14679 1/20 0.40
AKR1B1 P15121 1/20 0.40

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
SCHEMBL3069380 1.00 TNFRSF1A (0.47) TNFRSF1ACYP26A1HSD11B1MAOBMAOA
SCHEMBL3075249 0.90 ESR1 (0.49) CYP26A1ESR1ESR2HCAR2CA12
SCHEMBL3075252 0.90 ESR1 (0.49) CYP26A1ESR1ESR2HCAR2CA12
SCHEMBL3467812 0.88 ESR1 (0.55) CYP26A1HSD11B1MAOBMAOAESR1
SCHEMBL3467807 0.88 ESR1 (0.55) CYP26A1HSD11B1MAOBMAOAESR1
SCHEMBL3075832 0.86 TNFRSF1A (0.46) TNFRSF1ACYP26A1HSD11B1MAOBMAOA
SCHEMBL3075837 0.86 TNFRSF1A (0.46) TNFRSF1ACYP26A1HSD11B1MAOBMAOA
SCHEMBL3468156 0.86 SNCA (0.51) CYP26A1ESR1ESR2HCAR2CA12
SCHEMBL3468158 0.86 SNCA (0.51) CYP26A1ESR1ESR2HCAR2CA12
SCHEMBL3074106 0.82 BCL2L1 (0.49) ESR1KDM4E

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-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators FANG JING 2010-10-14 US claimed
EP-1891026-B1 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2010-07-14 EP claimed
US-7723393-B2 Cycloalkylidene compounds as selective estrogen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US claimed
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators SMITHKLINE BEECHAM CORPORATION 2008-07-10 US claimed
US-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators FANG JING 2010-10-14 US disclosed
EP-1891026-B1 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2010-07-14 EP disclosed
US-7723393-B2 Cycloalkylidene compounds as selective estrogen receptor modulators GLAXOSMITHKLINE LLC (US) 2010-05-25 US disclosed
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators SMITHKLINE BEECHAM CORPORATION 2008-07-10 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 (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-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG TNFRSF1A 784/4885CYP26A1 162/4885HSD11B1 128/4885
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG TNFRSF1A 784/4885CYP26A1 162/4885HSD11B1 128/4885

“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.