SCHEMBL3686002

SCHEMBL3686002

COc1ccc(C2CC3CCC2C3)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.55
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
SLC6A3 Q01959 5/20 0.48
HTR2C P28335 1/20 0.47
SLC6A4 P31645 3/20 0.44
ALDH1A1 P00352 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43

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
SCHEMBL900460 0.84 MEN1 (0.66) KDM1AMAOBMEN1POLBGAA
SCHEMBL23040801 0.82 KMT2A (0.47) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL21656812 0.77 SLC6A3 (0.53) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL25176910 0.77 SLC6A3 (0.53) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL11064726 0.76 KDM1A (0.72) KDM1AMAOAMAOBSLC6A3HTR2C
SCHEMBL11064728 0.76 KDM1A (0.72) KDM1AMAOAMAOBSLC6A3HTR2C
SCHEMBL23040777 0.76 KMT2A (0.42) MEN1POLBGAAKMT2ASLC6A3
SCHEMBL25171587 0.76 MEN1 (0.56) KDM1AMAOAMAOBMEN1POLB
SCHEMBL3049400 0.76 GAA (0.66) KDM1AMEN1POLBGAAKMT2A
SCHEMBL21409728 0.76 MEN1 (0.56) MEN1POLBGAAKMT2ASLC6A3

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 KDM1A 3128/4885MAOA 85/4885MAOB 46/4885

“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.