SCHEMBL20445604

SCHEMBL20445604

CCCCN(CCC(C)C)CCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.40
PLA2G2A P14555 1/20 0.40
OPRM1 P35372 5/20 0.35
OPRD1 P41143 4/20 0.35
OPRK1 P41145 4/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM5A P29375 3/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
PHF8 Q9UPP1 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
DNM1 Q05193 1/20 0.31

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
SCHEMBL11318760 1.00 PLA2G1B (0.40) PLA2G1BPLA2G2AOPRM1OPRD1OPRK1
SCHEMBL22301300 0.95 PLA2G1B (0.38) PLA2G1BPLA2G2AOPRM1OPRD1OPRK1
SCHEMBL8938916 0.92 PLA2G1B (0.43) PLA2G1BPLA2G2AOPRM1OPRD1OPRK1
SCHEMBL9785896 0.92 PLA2G1B (0.43) PLA2G1BPLA2G2AOPRM1OPRD1OPRK1
SCHEMBL12039736 0.90 PLA2G1B (0.38) PLA2G1BPLA2G2AOPRM1OPRD1OPRK1
SCHEMBL26673160 0.90 PLA2G1B (0.47) PLA2G1BPLA2G2AOPRM1CA12CA1
SCHEMBL7160653 0.90 PLA2G1B (0.47) PLA2G1BPLA2G2AOPRM1CA12CA1
SCHEMBL17277117 0.90 PLA2G1B (0.40) PLA2G1BPLA2G2AOPRM1CA12CA1
SCHEMBL13955117 0.89 PLA2G1B (0.38) PLA2G1BPLA2G2AOPRM1OPRD1OPRK1
SCHEMBL23228807 0.88 PLA2G1B (0.41) PLA2G1BPLA2G2AOPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11241473-B2 Bicyclic peptide ligands and uses thereof BICYCLETX LIMITED (GB) 2022-02-08 US disclosed
US-20220017495-A1 CONJUGATES OF BIVALENT EVANS BLUE DYE DERIVATIVES AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2022-01-20 US disclosed
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF BICYCLETX LIMITED (GB) 2021-02-18 US disclosed
US-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2019-10-08 US disclosed
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 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 (5 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-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, MRPS18A PLA2G1B 3005/4885PLA2G2A 3629/4885OPRM1 1707/4885
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 PLA2G1B 2372/4885PLA2G2A 4012/4885OPRM1 1710/4885
US-20210046145-A1 BICYCLIC PEPTIDE LIGANDS AND USES THEREOF VIP, NGLY1, BID PLA2G1B 2957/4885PLA2G2A 2445/4885OPRM1 945/4885
US-20220017495-A1 CONJUGATES OF BIVALENT EVANS BLUE DYE DERIVATIVES AND METHODS OF USE NUCB2, RNPEP, MME PLA2G1B 2306/4885PLA2G2A 3669/4885OPRM1 4579/4885
US-11241473-B2 Bicyclic peptide ligands and uses thereof VIP, NGLY1, BID PLA2G1B 2957/4885PLA2G2A 2445/4885OPRM1 945/4885

“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.