SCHEMBL221341

SCHEMBL221341

COCCCOc1cc(/C=C(/C=O)C(C)C)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.46
TUBB1 Q9H4B7 5/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 2/20 0.44
CYP2C9 P11712 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TUBB4A P04350 3/20 0.41
TUBB P07437 3/20 0.41
TUBA3C P0DPH7 3/20 0.41

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
SCHEMBL221032 1.00 FDPS (0.46) FDPSTUBB1MAPTSMN1; SMN2LMNA
SCHEMBL222288 1.00 FDPS (0.46) FDPSTUBB1MAPTSMN1; SMN2LMNA
SCHEMBL29521713 1.00 FDPS (0.46) FDPSTUBB1MAPTSMN1; SMN2LMNA
SCHEMBL2564332 0.85 ALDH1A1 (0.56) FDPSSMN1; SMN2HTTALDH1A1HPGD
SCHEMBL2564338 0.85 ALDH1A1 (0.56) FDPSSMN1; SMN2HTTALDH1A1HPGD
SCHEMBL2564336 0.85 ALDH1A1 (0.56) FDPSSMN1; SMN2HTTALDH1A1HPGD
SCHEMBL2848457 0.82 TUBB1 (0.49) FDPSTUBB1MAPTSMN1; SMN2LMNA
SCHEMBL221117 0.82 TUBB1 (0.49) FDPSTUBB1MAPTSMN1; SMN2LMNA
SCHEMBL1006237 0.81 CYP2C9 (0.45) FDPSTUBB1MAPTSMN1; SMN2NPSR1
SCHEMBL1006239 0.81 CYP2C9 (0.45) FDPSTUBB1MAPTSMN1; SMN2NPSR1

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-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-20130252288-A1 ENANTIOSELECTIVE REDUCTION DSM IP ASSETS B.V. (NL) 2013-09-26 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
EP-2275398-A1 APPLICATION OF THE IRIDIUM COMPLEX IN ASYMMETRIC CATALYTIC HYDROGENATION FOR UNSATURATED CARBOXYLIC ACID Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2011-01-19 EP 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
EP-2171077-A2 ENANTIOSELECTIVE REDUCTION DSM IP Assets B.V. (NL) 2010-04-07 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
WO-2009007460-A2 ENANTIOSELECTIVE REDUCTION 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 (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 FDPS 310/4885TUBB1 1017/4885MAPT 3984/4885
US-20100234630-A1 ALPHA-SUBSTITUTED A,B-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION A,B CYP8B1, CYP1B1, ADRA1A FDPS 265/4885TUBB1 1386/4885MAPT 4178/4885

“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.