SCHEMBL1361131

SCHEMBL1361131

CN(C)CCN(C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.58
HIF1A Q16665 7/20 0.55
CYP2D6 P10635 4/20 0.55
CYP1A2 P05177 4/20 0.55
CYP2C9 P11712 4/20 0.55
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 3/20 0.46
HTT P42858 3/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.40
HSPA5 P11021 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL3053629 0.96 CYP2C19 (0.54) CYP2C19HIF1ACYP2D6CYP1A2CYP2C9
SCHEMBL6053413 0.95 HIF1A (0.59) CYP2C19HIF1ACYP2D6CYP1A2CYP2C9
SCHEMBL6053460 0.89 HIF1A (0.56) CYP2C19HIF1ACYP2D6CYP1A2CYP2C9
SCHEMBL22468666 0.89 CYP2C19 (0.68) CYP2C19HIF1ACYP2D6CYP1A2CYP2C9
SCHEMBL13186087 0.88 CYP2C19 (0.58) CYP2C19HIF1ACYP2D6CYP1A2CYP2C9
SCHEMBL7942593 0.88 HIF1A (0.55) CYP2C19HIF1ACYP2D6CYP1A2CYP2C9
SCHEMBL29641521 0.87 CYP2C19 (0.66) CYP2C19HIF1ACYP2D6CYP1A2CYP2C9
Potassium SCHEMBL30309049 0.86 CYP2C19 (0.64) CYP2C19HIF1ACYP2D6CYP1A2CYP2C9
SCHEMBL6057546 0.85 CYP2C19 (0.79) CYP2C19HIF1ACYP2D6CYP1A2CYP2C9
SCHEMBL7940340 0.85 HIF1A (0.52) CYP2C19HIF1ACYP2D6CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976705-B1 PROCESS FOR PREPARING STABILIZED ALIPHATIC POLYESTER, AND COMPOSITIONS OBTAINED THEREWITH TOTALENERGIES CORBION B V (NL) 2024-01-10 EP disclosed
WO-2023283473-A1 POLY(DIALKYL BETA-LACTONE) COMPOSITIONS, METHODS OF MAKING SAME AND USES THEREOF CORNELL UNIVERSITY (US) 2023-01-12 WO disclosed
EP-3814399-A1 PROCESS FOR THE PREPARATION OF LACTIDE AND POLYLACTIDE MIXTURE Total Corbion PLA BV (NL) 2021-05-05 EP disclosed
WO-2020245063-A1 PROCESS FOR PREPARING STABILIZED ALIPHATIC POLYESTER, AND COMPOSITIONS OBTAINED THEREWITH TOTAL CORBION PLA BV (NL) 2020-12-10 WO disclosed
WO-2017137990-A1 ORGANOMETALLIC COMPLEXES OF SEQUENTIAL TETRADENTATE MONOANIONIC LIGANDS AND USES THEREOF IN RING OPENING POLYMERIZATION OF CYCLIC ESTERS RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2017-08-17 WO disclosed
US-8067398-B2 Biodegradable polymers having a pre-determined chirality YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2011-11-29 US disclosed
US-20090318339-A1 Biodegradable polymers having a pre-determined chirality Yissum Research Development Company of The Hebrew Univerisity of Jerusalem (IL) 2009-12-24 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-20090318339-A1 Biodegradable polymers having a pre-determined chirality PAICS, CD14, PCNA CYP2C19 112/4885HIF1A 2077/4885CYP2D6 527/4885

“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.