SCHEMBL221031

SCHEMBL221031

CCC(OC)Oc1cc(/C=C(\C=O)C(C)C)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 2/20 0.40
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
PDE4B Q07343 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
NFE2L2 Q16236 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
FDPS P14324 1/20 0.37
PTGS2 P35354 1/20 0.36
NQO2 P16083 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
SCHEMBL221033 1.00 TDP1 (0.42) TDP1GAAALDH1A1TSHRPTGS1
SCHEMBL2564336 0.85 ALDH1A1 (0.56) TDP1GAAALDH1A1TSHRPTGS1
SCHEMBL2564338 0.85 ALDH1A1 (0.56) TDP1GAAALDH1A1TSHRPTGS1
SCHEMBL2564332 0.85 ALDH1A1 (0.56) TDP1GAAALDH1A1TSHRPTGS1
SCHEMBL221116 0.82 PTGS1 (0.41) TDP1GAAALDH1A1TSHRPTGS1
SCHEMBL221118 0.82 PTGS1 (0.41) TDP1GAAALDH1A1TSHRPTGS1
SCHEMBL7352330 0.81 ALDH1A1 (0.64) TDP1ALDH1A1TSHRHTTFDPS
SCHEMBL222376 0.78 PDE4B (0.46) TDP1GAAALDH1A1TSHRPTGS1
SCHEMBL221731 0.78 PDE4B (0.46) TDP1GAAALDH1A1TSHRPTGS1
SCHEMBL220599 0.78 TDP1 (0.44) TDP1GAAALDH1A1TSHRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252288-A1 ENANTIOSELECTIVE REDUCTION DSM IP ASSETS B.V. (NL) 2013-09-26 US disclosed
US-8088954-B2 Preparation of a saturated aldehyde DSM IP ASSETS B.V. (NL) 2012-01-03 US disclosed
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-20110294171-A1 PREPARATION OF A SATURATED ALDEHYDE DSM IP ASSETS B.V. (NL) 2011-12-01 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
US-20100197972-A1 PREPARATION OF A SATURATED ALDEHYDE DSM IP ASSETS B.V. (NL) 2010-08-05 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
EP-2173696-A1 PREPARATION OF A SATURATED ALDEHYDE DSM IP Assets B.V. (NL) 2010-04-14 EP disclosed
EP-2171077-A2 ENANTIOSELECTIVE REDUCTION DSM IP Assets B.V. (NL) 2010-04-07 EP disclosed
WO-2009007460-A2 ENANTIOSELECTIVE REDUCTION DSM IP ASSETS B.V. (NL) 2009-01-15 WO 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
WO-2009007461-A1 PREPARATION OF A SATURATED ALDEHYDE DSM IP ASSETS B.V. (NL) 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 (4 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-20100197972-A1 PREPARATION OF A SATURATED ALDEHYDE H1-0, F9, HRH4 TDP1 4771/4885GAA 1752/4885ALDH1A1 21/4885
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-20110294171-A1 PREPARATION OF A SATURATED ALDEHYDE H1-0, F9, HRH4 TDP1 4771/4885GAA 1752/4885ALDH1A1 21/4885
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.