SCHEMBL3073109

SCHEMBL3073109

CC1(C)CC(=C(c2ccccc2)c2ccc(Br)cc2)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
LMNA P02545 4/20 0.39
SETD7 Q8WTS6 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL3468180 0.87 ESR1 (0.49) KMT2AMEN1SMN1; SMN2KCNH2MAPT
SCHEMBL3075044 0.85 ESR1 (0.50) KMT2AMEN1RAB9ASMN1; SMN2LMNA
SCHEMBL6533645 0.83 HTR2A (0.39) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL3073095 0.83 TSHR (0.47) SMN1; SMN2LMNASETD7CHRM2CYP2D6
SCHEMBL3075656 0.78 TSHR (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL3467947 0.78 KDM4E (0.34) CYP3A4LMNAKDM4EALDH1A1ESR1
SCHEMBL3468563 0.78 MMP3 (0.47) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL3468408 0.77 ESR1 (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL27674409 0.76 SETD7 (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL3075249 0.75 ESR1 (0.49) CYP3A4MAPTKDM4EALDH1A1ESR1

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 5 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 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
EP-1891026-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Smithkline Beecham Corporation (US) 2008-02-27 EP disclosed
WO-2006127871-A2 CYCLOALKYLIDENE COMPOUNDS AS SELECTIVE ESTROGEN RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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-20100261772-A1 Cycloalkylidene Compounds As Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG KMT2A 3139/4885MEN1 4274/4885NPC1 1498/4885
US-20080167360-A1 Cycloalkylidene Compounds as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG KMT2A 3139/4885MEN1 4274/4885NPC1 1498/4885

“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.