SCHEMBL1973142

SCHEMBL1973142

CCCc1[c]cc2ccccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 3/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
DRD2 P14416 1/20 0.33
SLC6A4 P31645 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
TLR8 Q9NR97 2/20 0.32
ELANE P08246 1/20 0.32
NPC1 O15118 1/20 0.32
BCHE P06276 2/20 0.31
GPR84 Q9NQS5 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
SCHEMBL2256514 0.88 TLR8 (0.40) CYP2A6CYP1A2ATMMEN1KMT2A
SCHEMBL5748058 0.85 KCNH2 (0.43) TLR8
SCHEMBL2253153 0.85 KCNH2 (0.43) TLR8
SCHEMBL2253984 0.85 KCNH2 (0.43) TLR8
SCHEMBL2254059 0.83 MEN1 (0.38) CYP2A6CYP1A2ATMMEN1KMT2A
SCHEMBL455936 0.83 CYP2A6 (0.45) CYP2A6CYP1A2KDM4EALDH1A1ATM
SCHEMBL28010056 0.82 TDP1 (0.37) CYP2A6CYP1A2RAB9ATDP1NPC1
SCHEMBL2252289 0.81 KCNH2 (0.40) ATMMEN1KMT2ATLR8NPC1
SCHEMBL2256988 0.81 KCNH2 (0.40) ATMMEN1KMT2ATLR8NPC1
SCHEMBL5749119 0.81 KCNH2 (0.40) ATMMEN1KMT2ATLR8NPC1

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
CN-107085033-A N phenylnaphthalenes aminated compounds as MALDI matrix application 中国科学院化学研究所 2017-08-22 CN disclosed
US-9469662-B2 Process for preparing optically active biophosphinylalkanes BASF SE (DE) 2016-10-18 US disclosed
EP-1913007-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2011-06-22 EP disclosed
US-20080242893-A1 Process for Preparing Optically Active Diphosphanes BASF AKTIENGESELLSCHAFT (DE) 2008-10-02 US disclosed
EP-1913007-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2008-04-23 EP disclosed
WO-2007012655-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE DIPHOSPHANES BASF SE (DE) 2007-02-01 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 (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-20080242893-A1 Process for Preparing Optically Active Diphosphanes PHOSPHO1, DCTPP1, DCPS CYP2A6 582/4885CYP1A2 1284/4885KDM4E 3522/4885

“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.