SCHEMBL218706

SCHEMBL218706

CCC(OC)Oc1cc(CC(C=O)C(C)C)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.43
ALOX12 P18054 3/20 0.43
LDHA P00338 1/20 0.43
FOS P01100 1/20 0.40
TTR P02766 1/20 0.40
JUN P05412 1/20 0.40
NR3C1 P04150 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
PKM P14618 1/20 0.38
CA2 P00918 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 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
SCHEMBL2568835 0.86 LDHA (0.55) ALOX15ALOX12LDHAFOSTTR
SCHEMBL31666050 0.86 LDHA (0.55) ALOX15ALOX12LDHAFOSTTR
SCHEMBL2575301 0.86 LDHA (0.55) ALOX15ALOX12LDHAFOSTTR
SCHEMBL4247499 0.79 LDHA (0.60) ALOX15ALOX12LDHACA2MEN1
SCHEMBL220326 0.78 CYP3A4 (0.52) ALOX15ALOX12LDHAFOSTTR
SCHEMBL14778481 0.78 ALOX15 (0.44) ALOX15ALOX12LDHAFOSTTR
SCHEMBL14778479 0.78 ALOX15 (0.44) ALOX15ALOX12LDHAFOSTTR
SCHEMBL14777605 0.77 REN (0.47)
SCHEMBL218707 0.77 REN (0.47)
SCHEMBL18526398 0.76 ALOX15 (0.57) ALOX15ALOX12LDHAFOSTTR

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 12 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-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-8088954-B2 Preparation of a saturated aldehyde DSM IP ASSETS B.V. (NL) 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-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

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 ALOX15 516/4885ALOX12 350/4885LDHA 1080/4885
US-20110301365-A1 ALPHA-SUBSTITUTED ALPHA, BETA-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION ALPHA, BETA CYP8B1, ECH1, NR1H2 ALOX15 71/4885ALOX12 51/4885LDHA 1073/4885
US-20110294171-A1 PREPARATION OF A SATURATED ALDEHYDE H1-0, F9, HRH4 ALOX15 516/4885ALOX12 350/4885LDHA 1080/4885
US-20100234630-A1 ALPHA-SUBSTITUTED A,B-UNSATURATED E- OR Z-ALDEHYDES, USE THEREOF, AND PROCESSES FOR THEIR PREPARATION A,B CYP8B1, CYP1B1, ADRA1A ALOX15 44/4885ALOX12 32/4885LDHA 1035/4885

“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.