SCHEMBL1397176

SCHEMBL1397176

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.45
CYP17A1 P05093 3/20 0.44
GABBR2 O75899 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CHRNA7 P36544 1/20 0.36
P2RX7 Q99572 4/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 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
SCHEMBL2197298 0.87 HPGD (0.33) CYP19A1CYP17A1GABBR2GABRB1GABRB2
SCHEMBL7705806 0.81 PAM (0.49) CYP19A1CYP17A1GABBR2GABRB1GABRB2
SCHEMBL2194804 0.80 GABBR2 (0.42) CYP19A1CYP17A1GABBR2GABRB1GABRB2
SCHEMBL28018052 0.76 CYP19A1 (0.50) CYP19A1CYP17A1KMT2AMEN1ALDH1A1
SCHEMBL1397068 0.76 KMT2A (0.48) CYP19A1GABBR2GABRB1GABRB2GABBR1
SCHEMBL6066461 0.76 KMT2A (0.48) CYP19A1GABBR2GABRB1GABRB2GABBR1
SCHEMBL1397163 0.75 CHRNA7 (0.42) GABBR2GABRB1GABRB2GABBR1CHRNA7
SCHEMBL11908382 0.74 CYP19A1 (0.45) CYP19A1CYP17A1KMT2AMEN1ALDH1A1
SCHEMBL6305516 0.72 GABBR2 (0.41) CYP19A1CYP17A1GABBR2GABRB1GABRB2
SCHEMBL6687185 0.71 PAM (0.52) CYP19A1KMT2AMEN1ALDH1A1LMNA

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2197869-B1 SULPHONIUM SALT INITIATORS BASF SE (DE) 2013-04-24 EP disclosed
EP-1472576-B1 SULFONATE DERIVATIVES AND THE USE THEROF AS LATENT ACIDS 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
EP-2349993-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2011-08-03 EP disclosed
US-20110171569-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS BASF SE (DE) 2011-07-14 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
EP-1472576-A2 SULFONATE DERIVATIVES AND THE USE THEROF AS LATENT ACIDS Ciba SC Holding AG (CH) 2004-11-03 EP disclosed
EP-1392675-A1 SUBSTITUTED OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS Ciba SC Holding AG (CH) 2004-03-03 EP disclosed
EP-1344109-A2 ONIUM SALTS AND THE USE THEROF AS LATENT ACIDS Ciba SC Holding AG (CH) 2003-09-17 EP disclosed
WO-2003067332-A2 SULFONATE DERIVATIVES AND THE USE THEROF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-08-14 WO disclosed
EP-1320785-A2 OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS Ciba SC Holding AG (CH) 2003-06-25 EP disclosed
WO-2002098870-A1 SUBSTITUTED OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-12-12 WO disclosed
WO-2002046507-A2 ONIUM SALTS AND THE USE THEROF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-06-13 WO disclosed
WO-2002025376-A2 OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-03-28 WO 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 CYP19A1 355/4885CYP17A1 1244/4885GABBR2 985/4885
US-20110171569-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS NR2E3, HCAR3, HRH4 CYP19A1 1750/4885CYP17A1 1769/4885GABBR2 673/4885

“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.