SCHEMBL3468348

SCHEMBL3468348

COc1ccc(C(=C2CC(C)(C)CC(C)(C)C2)c2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 2/20 0.52
HSD17B10 Q99714 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
IDO1 P14902 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL3467956 0.85 ALDH1A1 (0.56) MAPTRAB9ANPC1ALDH1A1HTT
SCHEMBL3468652 0.82 ALDH1A1 (0.51) MAPTRAB9ANPC1ALDH1A1HTT
SCHEMBL3468296 0.81 LMNA (0.50) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL171415 0.77 SMN1; SMN2 (0.73) MAPTRAB9ANPC1ALDH1A1HTT
SCHEMBL27267778 0.77 SMN1; SMN2 (0.73) MAPTRAB9ANPC1ALDH1A1HTT
SCHEMBL3468387 0.76 MAPT (0.68) MAPTRAB9ANPC1ALDH1A1HTT
Fluoride SCHEMBL28166192 0.75 SMN1; SMN2 (0.70) MAPTRAB9ANPC1ALDH1A1HTT
SCHEMBL27627516 0.75 SMN1; SMN2 (0.70) MAPTRAB9ANPC1ALDH1A1HTT
SCHEMBL3468549 0.75 USP2 (0.41) MAPTALDH1A1HTTSMN1; SMN2ALOX15
SCHEMBL14384396 0.72 MTNR1A (0.76) MAPTRAB9ANPC1ALDH1A1HTT

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-7799828-B2 Cycloalkylidene compounds as modulators of estrogen receptor GLAXOSMITHKLINE LLC (US) 2010-09-21 US disclosed
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor GLAXOSMITHKLINE LLC 2009-10-08 US disclosed
US-7569601-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-08-04 US disclosed
US-7560589-B2 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-20070213348-A1 Chemical Compounds BRITTON JONATHAN E 2007-09-13 US disclosed
US-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor SMITHKLINE BEECHAM CORPORATION 2007-07-05 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 (3 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-20070155839-A1 Cycloalkylidene compounds as modulators of estrogen receptor ESR2, GPER1, ESRRG MAPT 4523/4885RAB9A 3719/4885NPC1 2291/4885
US-20090253659-A1 Cycloalkylidene Compounds As Modulators of Estrogen Receptor ESR2, GPER1, ESRRG MAPT 4523/4885RAB9A 3719/4885NPC1 2291/4885
US-20070213348-A1 Chemical Compounds GPER1, ESR2, ESR1 MAPT 3451/4885RAB9A 2618/4885NPC1 638/4885

“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.