SCHEMBL3085169

SCHEMBL3085169

CCCC[Sn](CCCC)(CCCC)Cc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.42
CYP19A1 P11511 1/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
ALDH1A1 P00352 2/20 0.40
CNR2 P34972 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
NAAA Q02083 1/20 0.38
ABCB1 P08183 2/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3092481 0.97 AKR1C3 (0.42) AKR1C3CYP19A1CES2CES1ALDH1A1
SCHEMBL7164776 0.80 AKR1C3 (0.48) AKR1C3CYP19A1CES2CES1ALDH1A1
SCHEMBL3085168 0.79 ALDH1A1 (0.49) CES2CES1ALDH1A1CNR2KMT2A
SCHEMBL3642864 0.78 BID (0.49) AKR1C3CES2CES1CNR2
SCHEMBL723171 0.77 AKR1C3 (0.57) AKR1C3CYP19A1ALDH1A1KMT2AGAA
SCHEMBL29881091 0.77 AKR1C3 (0.57) AKR1C3CYP19A1ALDH1A1KMT2AGAA
SCHEMBL11002989 0.77 LIPG (0.51) CES2CES1NAAA
SCHEMBL9559479 0.77 LIPG (0.51) CES2CES1NAAA
SCHEMBL31405271 0.77 LIPG (0.51) CES2CES1NAAA
SCHEMBL1534314 0.77 LIPG (0.51) CES2CES1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203496-B1 PHOTOLATENT CATALYSTS BASED ON ORGANOMETALLIC COMPOUNDS BASF SE (DE) 2018-04-11 EP disclosed
US-8318830-B2 Photolatent catalysts based on organometallic compounds BASF SE (DE) 2012-11-27 US disclosed
US-20100234485-A1 PHOTOLATENT CATALYSTS BASED ON ORGANOMETALLIC COMPOUNDS BASF SE (DE) 2010-09-16 US disclosed
EP-2203496-A1 PHOTOLATENT CATALYSTS BASED ON ORGANOMETALLIC COMPOUNDS BASF SE (DE) 2010-07-07 EP disclosed
WO-2009050115-A1 PHOTOLATENT CATALYSTS BASED ON ORGANOMETALLIC COMPOUNDS BASF SE (CH) 2009-04-23 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-20100234485-A1 PHOTOLATENT CATALYSTS BASED ON ORGANOMETALLIC COMPOUNDS PUF60, TST, MPST AKR1C3 3229/4885CYP19A1 4288/4885CES2 996/4885

“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.