SCHEMBL2194804

SCHEMBL2194804

O=C(OC=Cc1ccccc1)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
CYP19A1 P11511 4/20 0.39
CYP17A1 P05093 3/20 0.39
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
FAAH O00519 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CHRNA7 P36544 1/20 0.36
P2RX7 Q99572 2/20 0.35
EPHX2 P34913 1/20 0.35
RARA P10276 1/20 0.35

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
SCHEMBL2196174 0.86 CYP2C19 (0.34) GABBR2GABRB1GABRB2GABBR1RARA
SCHEMBL1397176 0.80 CYP19A1 (0.45) GABBR2GABRB1GABRB2GABBR1CYP19A1
SCHEMBL1397068 0.79 KMT2A (0.48) GABBR2GABRB1GABRB2GABBR1CYP19A1
SCHEMBL6066461 0.79 KMT2A (0.48) GABBR2GABRB1GABRB2GABBR1CYP19A1
SCHEMBL1397163 0.78 CHRNA7 (0.42) GABBR2GABRB1GABRB2GABBR1GRIN2D
SCHEMBL7705806 0.76 PAM (0.49) GABBR2GABRB1GABRB2GABBR1CYP19A1
SCHEMBL377478 0.76 HDAC1 (0.52) HDAC3TNKSHDAC4HDAC1HCAR2
SCHEMBL6305516 0.75 GABBR2 (0.41) GABBR2GABRB1GABRB2GABBR1CYP19A1
SCHEMBL7247469 0.72 GABBR2 (0.39) GABBR2GABRB1GABRB2GABBR1CYP19A1
SCHEMBL6252722 0.72 KMT2A (0.47) HDAC3TNKSHDAC4HDAC1HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207456-B Latent acids and their use 巴斯夫欧洲公司 2021-05-04 CN disclosed
EP-3253735-B1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2021-03-31 EP disclosed
US-20180009775-A1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2018-01-11 US disclosed
WO-2016124493-A1 LATENT ACIDS AND THEIR USE BASF SE (DE) 2016-08-11 WO disclosed
EP-2197840-B1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2013-11-06 EP disclosed
EP-1472576-B1 SULFONATE DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2013-04-24 EP disclosed
EP-2197869-B1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2013-04-24 EP disclosed
EP-2197839-B1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2013-01-02 EP disclosed
EP-2349993-B1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2012-12-12 EP disclosed
US-20110171569-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2011-07-14 US disclosed
EP-1320785-B1 OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS BASF SE (DE) 2010-02-17 EP disclosed
EP-1344109-B1 ONIUM SALTS AND THE USE THEROF AS LATENT ACIDS CIBA HOLDING INC (CH) 2008-05-07 EP disclosed
US-20060068325-A1 Oxime derivatives and the use thereof as latent acids YAMATO HITOSHI 2006-03-30 US disclosed
EP-1392675-B1 SUBSTITUTED OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS CIBA SC HOLDING AG (CH) 2005-02-09 EP disclosed
US-6261738-B1 LATENT CURING CATALYSTS FOR PHOTORESISTS SUCH AS 2,2,2-TRIFLUORO-1-PHENYL-ETHANONE OXIME-O-METHYL SULFONATE CIBA SPECIALTY CHEMICALS CORPORATION 2001-07-17 US 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 (2 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-20180009775-A1 LATENT ACIDS AND THEIR USE LTA, C1S, C9 GABBR2 985/4885GABRB1 1542/4885GABRB2 1534/4885
US-20110171569-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS NR2E3, HCAR3, HRH4 GABBR2 673/4885GABRB1 755/4885GABRB2 774/4885

“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.