SCHEMBL3676448

SCHEMBL3676448

CC(C)(C)C(=O)OC1CCC(Br)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.36
MAPT P10636 1/20 0.33
CHRM3 P20309 7/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL3678287 1.00 CYP19A1 (0.36) CYP19A1MAPTCHRM3SMN1; SMN2NPC1
SCHEMBL17886845 0.89 CYP19A1 (0.41) CYP19A1MAPTCHRM3SMN1; SMN2NPC1
SCHEMBL995833 0.81 CYP19A1 (0.40) CYP19A1MAPTCHRM3SMN1; SMN2NPC1
SCHEMBL28296372 0.81 CYP19A1 (0.37) CYP19A1MAPTCHRM3SMN1; SMN2NPC1
SCHEMBL13811600 0.81 CYP19A1 (0.40) CYP19A1MAPTCHRM3SMN1; SMN2NPC1
SCHEMBL995834 0.81 CYP19A1 (0.40) CYP19A1MAPTCHRM3SMN1; SMN2NPC1
SCHEMBL1682649 0.80 CYP19A1 (0.50) CYP19A1CHRM3SMN1; SMN2NPC1RAB9A
SCHEMBL13073268 0.80 CYP19A1 (0.46) CYP19A1CHRM3SMN1; SMN2NPC1RAB9A
SCHEMBL9050652 0.79 MAPT (0.50) CYP19A1MAPTCHRM3SMN1; SMN2NPC1
SCHEMBL20232707 0.79 CYP19A1 (0.36) CYP19A1MAPTCHRM3SMN1; SMN2NPC1

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 CYP19A1 140/4885MAPT 4069/4885CHRM3 665/4885

“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.