SCHEMBL220326

SCHEMBL220326

CCC(OC)Oc1cc(CC(CO)C(C)C)ccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
MMP1 P03956 1/20 0.52
ALOX15 P16050 5/20 0.47
ALOX12 P18054 3/20 0.47
FOS P01100 1/20 0.44
TTR P02766 1/20 0.44
JUN P05412 1/20 0.44
NR3C1 P04150 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
LDHA P00338 1/20 0.43
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CA2 P00918 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
REN P00797 1/20 0.38
STAT3 P40763 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL14778481 0.87 ALOX15 (0.44) CYP3A4MMP1ALOX15ALOX12FOS
SCHEMBL14778479 0.87 ALOX15 (0.44) CYP3A4MMP1ALOX15ALOX12FOS
SCHEMBL11911905 0.78 CYP3A4 (0.75) CYP3A4MMP1ALOX15ALOX12FOS
SCHEMBL4072201 0.78 CYP3A4 (0.75) CYP3A4MMP1ALOX15ALOX12FOS
SCHEMBL218706 0.78 ALOX15 (0.43) CYP3A4ALOX15ALOX12FOSTTR
SCHEMBL3757544 0.76 REN (0.55) CYP3A4MMP1REN
SCHEMBL7334535 0.76 REN (0.55) CYP3A4MMP1REN
SCHEMBL220327 0.76 REN (0.55) CYP3A4MMP1REN
SCHEMBL19316026 0.76 MMP1 (0.49) CYP3A4MMP1ALOX15ALOX12FOS
SCHEMBL14221975 0.72 CYP3A4 (0.61) CYP3A4MMP1ALOX15ALOX12FOS

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 16 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
CN-101801904-A Alpha-substituted alpha, beta-unsaturated E-or Z-aldehydes, their use and processes for their preparation DSM FINE CHEM AUSTRIA GMBH 2010-08-11 CN disclosed
CN-101801903-A Preparation of a saturated aldehyde DSM IP ASSETS BV 2010-08-11 CN disclosed
CN-101802207-A The enantiomerism selective reduction DSM IP ASSETS BV 2010-08-11 CN 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 CYP3A4 120/4885MMP1 3849/4885ALOX15 516/4885
US-20110301365-A1 ALPHA-SUBSTITUTED ALPHA, BETA-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION ALPHA, BETA CYP8B1, ECH1, NR1H2 CYP3A4 146/4885MMP1 4114/4885ALOX15 71/4885
US-20110294171-A1 PREPARATION OF A SATURATED ALDEHYDE H1-0, F9, HRH4 CYP3A4 120/4885MMP1 3849/4885ALOX15 516/4885
US-20100234630-A1 ALPHA-SUBSTITUTED A,B-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION A,B CYP8B1, CYP1B1, ADRA1A CYP3A4 86/4885MMP1 4162/4885ALOX15 44/4885

“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.