SCHEMBL220599

SCHEMBL220599

COc1ccc(/C=C(\C=O)C(C)C)cc1O[Si](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 3/20 0.39
PTGS2 P35354 2/20 0.39
NQO2 P16083 1/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AOX1 Q06278 1/20 0.38
TRIM24 O15164 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
GLO1 Q04760 2/20 0.38

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
SCHEMBL221130 1.00 TDP1 (0.44) TDP1GAAALDH1A1TSHRCYP1A2
SCHEMBL2564336 0.89 ALDH1A1 (0.56) TDP1GAAALDH1A1TSHRCYP1A2
SCHEMBL2564332 0.89 ALDH1A1 (0.56) TDP1GAAALDH1A1TSHRCYP1A2
SCHEMBL2564338 0.89 ALDH1A1 (0.56) TDP1GAAALDH1A1TSHRCYP1A2
SCHEMBL221732 0.81 PDE4B (0.46) TDP1GAAALDH1A1TSHRCYP1A2
SCHEMBL221731 0.81 PDE4B (0.46) TDP1GAAALDH1A1TSHRCYP1A2
SCHEMBL222376 0.81 PDE4B (0.46) TDP1GAAALDH1A1TSHRCYP1A2
SCHEMBL218831 0.80 ALDH1A1 (0.61) TDP1ALDH1A1CYP1A2NQO2SMN1; SMN2
SCHEMBL220185 0.80 ALDH1A1 (0.61) TDP1ALDH1A1CYP1A2NQO2SMN1; SMN2
SCHEMBL221031 0.78 TDP1 (0.42) TDP1GAAALDH1A1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088955-B2 Alpha-substituted α,β-unsaturated E- or Z-aldehydes, use thereof, and processes for their preparation α,β DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO. KG (AT) 2012-01-03 US claimed
US-20100234630-A1 ALPHA-SUBSTITUTED A,B-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION A,B DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2010-09-16 US claimed
EP-2178816-A1 ALPHA-SUBSTITUTED , -UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION , DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2010-04-28 EP claimed
WO-2009007462-A1 ALPHA-SUBSTITUTED α,β-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION α,β DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO. KG (AT) 2009-01-15 WO claimed
US-8088955-B2 Alpha-substituted α,β-unsaturated E- or Z-aldehydes, use thereof, and processes for their preparation α,β DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO. KG (AT) 2012-01-03 US disclosed
US-20110301365-A1 ALPHA-SUBSTITUTED ALPHA, BETA-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION ALPHA, BETA DSM IP ASSETS B.V. (NL) 2011-12-08 US disclosed
US-20100234630-A1 ALPHA-SUBSTITUTED A,B-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION A,B DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2010-09-16 US disclosed
EP-2178816-A1 ALPHA-SUBSTITUTED , -UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION , DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2010-04-28 EP disclosed
WO-2009007462-A1 ALPHA-SUBSTITUTED α,β-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION α,β DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO. KG (AT) 2009-01-15 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 (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-20110301365-A1 ALPHA-SUBSTITUTED ALPHA, BETA-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION ALPHA, BETA CYP8B1, ECH1, NR1H2 TDP1 4397/4885GAA 1265/4885ALDH1A1 70/4885
US-20100234630-A1 ALPHA-SUBSTITUTED A,B-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION A,B CYP8B1, CYP1B1, ADRA1A TDP1 4481/4885GAA 1193/4885ALDH1A1 46/4885

“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.