SCHEMBL3954604

SCHEMBL3954604

CCc1cccc2c(CC)c(O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
DAO P14920 2/20 0.45
DDO Q99489 1/20 0.45
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
IAPP P10997 1/20 0.39
HSD17B10 Q99714 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 3/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38

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
SCHEMBL3593817 0.84 GABRA1 (0.56) GABRA1GABRB2DAODDOALDH1A1
SCHEMBL3584443 0.81 GABRA1 (0.56) GABRA1GABRB2DAODDOALDH1A1
SCHEMBL3238496 0.80 GABRA1 (0.57) GABRA1GABRB2DAODDOALDH1A1
SCHEMBL707284 0.79 GABRA1 (0.58) GABRA1GABRB2DAODDOIAPP
SCHEMBL30116230 0.79 GABRA1 (0.58) GABRA1GABRB2DAODDOIAPP
SCHEMBL3952889 0.78 GABRA1 (0.64) GABRA1GABRB2DAODDOALDH1A1
Benzene SCHEMBL10833201 0.77 GABRA1 (0.56) GABRA1GABRB2DAODDOIAPP
SCHEMBL31214942 0.77 GABRA1 (0.56) GABRA1GABRB2DAODDOIAPP
SCHEMBL31214884 0.77 GABRA1 (0.56) GABRA1GABRB2DAODDOIAPP
Magnesium SCHEMBL31214868 0.77 GABRA1 (0.56) GABRA1GABRB2DAODDOIAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514520-B2 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2009-04-07 US disclosed
US-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester ASAHI KASEI CHEMICAL CORPORATION (JP) 2008-04-17 US disclosed
US-20070060739-A1 Process for producing phosphonitrilic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2007-03-15 US disclosed
CN-1798753-A Process for producing phosphonitrilic acid ester ASAHI CHEMICAL CORP (JP) 2006-07-05 CN 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-20080091050-A1 Process For Producing Phosphonitrilic Acid Ester PHOSPHO1, GNPAT, SELENOI GABRA1 2466/4885GABRB2 2320/4885DAO 438/4885

“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.