SCHEMBL2052989

SCHEMBL2052989

O=C(CC(=O)Oc1ccccc1)Oc1ccccc1.O=C(CC(=O)Oc1ccccc1)Oc1ccccc1.[Zn]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
ELANE P08246 1/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
HSD17B10 Q99714 3/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX15 P16050 2/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
HPGD P15428 1/20 0.45
LGALS8 O00214 1/20 0.44
RAB9A P51151 1/20 0.43
RAD51 Q06609 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL153387 0.98 CYP19A1 (0.55) CYP19A1ELANEALDH1A1MAPTHSD17B10
SCHEMBL5470669 0.95 CYP19A1 (0.53) CYP19A1ELANEALDH1A1MAPTHSD17B10
SCHEMBL11495143 0.95 CYP19A1 (0.53) CYP19A1ELANEALDH1A1MAPTHSD17B10
SCHEMBL2141580 0.95 CYP19A1 (0.53) CYP19A1ELANEALDH1A1MAPTHSD17B10
SCHEMBL15676640 0.95 CYP19A1 (0.53) CYP19A1ELANEALDH1A1MAPTHSD17B10
Hydrochloric Acid SCHEMBL8171193 0.93 CYP19A1 (0.56) CYP19A1ELANEALDH1A1MAPTHSD17B10
Biphenyl SCHEMBL28003854 0.91 CYP19A1 (0.50) CYP19A1ELANEALDH1A1MAPTHSD17B10
SCHEMBL11665593 0.89 CYP19A1 (0.49) CYP19A1ELANEALDH1A1MAPTHSD17B10
SCHEMBL3122313 0.89 ALDH1A1 (0.59) CYP19A1ELANEALDH1A1MAPTHSD17B10
SCHEMBL475526 0.88 CYP19A1 (0.52) CYP19A1ELANEALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960577-B2 Process for preparing organosilicon compounds having organyloxy groups WACKER CHEMIE AG (DE) 2011-06-14 US disclosed
US-20080207938-A1 PROCESS FOR PREPARING ORGANOSILICON COMPOUNDS HAVING ORGANYLOXY GROUPS WACKER CHEMIE AG (DE) 2008-08-28 US disclosed
US-5055502-A Storage stable, moisture curable to elastomers RHONE-POULENC CHIMIE (FR) 1991-10-08 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 (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-20080207938-A1 PROCESS FOR PREPARING ORGANOSILICON COMPOUNDS HAVING ORGANYLOXY GROUPS C9, C1S, C5 CYP19A1 2291/4885ELANE 849/4885ALDH1A1 1023/4885

“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.