SCHEMBL3228462

SCHEMBL3228462

CC(C)(C)C(P)(c1cc(-c2ccccc2)c(-c2ccccc2)cc1C(P)(C(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
ESR2 Q92731 1/20 0.34
PTGS2 P35354 1/20 0.34
ALOX5 P09917 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NR2F2 P24468 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2A6 P11509 2/20 0.32
CYP2B6 P20813 1/20 0.32
HSD17B10 Q99714 3/20 0.32
HPGD P15428 2/20 0.32
BCL2L1 Q07817 1/20 0.32

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
SCHEMBL27780028 0.83 ALDH1A1 (0.37) BACE1PTGS2ALDH1A1SMN1; SMN2TDP1
SCHEMBL30445151 0.80 KIF11 (0.39) ALDH1A1KDM4ELMNASMN1; SMN2TDP1
SCHEMBL3004822 0.80 KIF11 (0.39) ALDH1A1KDM4ELMNASMN1; SMN2TDP1
SCHEMBL2994800 0.80 ALOX5 (0.36) ESR2ALOX5ALDH1A1KDM4ELMNA
SCHEMBL27780021 0.80 SIGMAR1 (0.34) MEN1KMT2ANPSR1
SCHEMBL27780016 0.79 NPC1 (0.38) BACE1ESR2PTGS2ALOX5ALDH1A1
SCHEMBL2012595 0.77 DPP4 (0.33) PTGS2ALDH1A1CYP2A6HSD17B10HPGD
SCHEMBL5928467 0.76 NQO2 (0.37) ALDH1A1TDP1CYP2A6HSD17B10HPGD
SCHEMBL29624141 0.74 ALDH1A1 (0.40) ALDH1A1TDP1MAPK1
SCHEMBL34188 0.74 ALDH1A1 (0.40) ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794548-B1 A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE LUCITE INT UK LTD (GB) 2019-05-15 EP disclosed
US-20120309613-A1 CARBONYLATION PROCESS LUCITE INTERNATIONAL UK LIMITED (GB) 2012-12-06 US disclosed
US-20100197958-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM LUCITE INTERNATIONAL UK LIMITED (GB) 2010-08-05 US 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 (1 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-20100197958-A1 PROCESS FOR THE CARBONYLATION OF AN ETHYLENICALLY UNSATURATED COMPOUND AND A CATALYST SYSTEM ALOX5, ACSL5, ELOVL5 BACE1 3631/4885ESR2 309/4885PTGS2 99/4885

“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.