SCHEMBL1397174

SCHEMBL1397174

C=Cc1ccccc1OCC(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.43
CYP17A1 P05093 1/20 0.43
ALDH1A1 P00352 3/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
FAAH O00519 4/20 0.39
CNR2 P34972 4/20 0.39
CNR1 P21554 3/20 0.39
USP2 O75604 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.36
S1PR4 O95977 1/20 0.36
MAPT P10636 1/20 0.36
ITGA4 P13612 1/20 0.36
HPGD P15428 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL2194799 0.81 KDM4E (0.40) CYP19A1CYP17A1FAAHCNR2CNR1
SCHEMBL1397178 0.78 PTGDR2 (0.40) ALDH1A1PTGDR2USP2MMP2MMP3
SCHEMBL28018052 0.77 CYP19A1 (0.50) CYP19A1CYP17A1ALDH1A1FAAHCNR2
SCHEMBL1397160 0.75 CNR2 (0.35) ALDH1A1FAAHCNR2CNR1SMN1; SMN2
SCHEMBL1397066 0.75 KDM4E (0.40) CYP19A1CYP17A1ALDH1A1FAAHCNR2
SCHEMBL10627483 0.73 PTGDR2 (0.51) ALDH1A1PTGDR2USP2MMP2MMP3
SCHEMBL1397197 0.73 PTGDR2 (0.47) CYP19A1ALDH1A1PTGDR2USP2SMN1; SMN2
SCHEMBL2197295 0.72 CYP19A1 (0.46) CYP19A1ALDH1A1PTGDR2USP2SMN1; SMN2
SCHEMBL6687183 0.72 PTGDR2 (0.72) ALDH1A1PTGDR2MMP2MMP3MMP13
SCHEMBL26834442 0.71 MEN1 (0.44) CYP19A1CYP17A1ALDH1A1FAAHCNR2

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-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
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 1244/4885ALDH1A1 217/4885
US-20110171569-A1 SULFONIUM DERIVATIVES AND THE USE THEROF AS LATENT ACIDS NR2E3, HCAR3, HRH4 CYP19A1 1750/4885CYP17A1 1769/4885ALDH1A1 1482/4885

“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.