SCHEMBL3676835

SCHEMBL3676835

CC(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHA2 P29317 6/20 0.60
GPBAR1 Q8TDU6 2/20 0.60
AKR1B10 O60218 1/20 0.60
AKR1B1 P15121 1/20 0.60
EFNA1 P20827 1/20 0.60
PSEN1 P49768 1/20 0.60
PSEN2 P49810 1/20 0.60
APH1B Q8WW43 1/20 0.60
NCSTN Q92542 1/20 0.60
APH1A Q96BI3 1/20 0.60
PSENEN Q9NZ42 1/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
KMT2A Q03164 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
CDC25A P30304 3/20 0.51
INPP5D Q92835 1/20 0.50

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
SCHEMBL29394692 0.84 EPHA2 (0.53) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL8332285 0.84 GPBAR1 (0.66) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL29100493 0.84 GPBAR1 (0.66) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL22068151 0.84 GPBAR1 (0.66) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL9176886 0.83 GPBAR1 (0.66) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL31747501 0.83 GPBAR1 (0.65) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL17912309 0.83 EPHA2 (0.68) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL3447578 0.83 EPHA2 (0.68) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL133953 0.83 EPHA2 (0.68) EPHA2GPBAR1AKR1B10AKR1B1EFNA1
SCHEMBL1163247 0.83 EPHA2 (0.65) EPHA2GPBAR1AKR1B10AKR1B1EFNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781599-B2 economical; nontoxic; high yield; industrial scale; Grignard reaction; iron catalyst (FeCl3) and a diamine (ethylenediamine); cross-coupling of alkyl halide and aromatic organometallic; primary or secondary alkyl substituents; phenylcycloheptane from bromocycloheptane and phenyl magnesium bromide JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-08-24 US disclosed
US-20070123734-A1 Process for production of aromatic compounds JAPAN SCIENCE AND TECHNOLOGY AGENCY 2007-05-31 US disclosed
EP-1724248-A1 PROCESS FOR PRODUCTION OF AROMATIC COMPOUNDS Japan Science and Technology Agency (JP) 2006-11-22 EP 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-20070123734-A1 Process for production of aromatic compounds C9, C5, C1S EPHA2 3538/4885GPBAR1 1785/4885AKR1B10 950/4885

“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.