SCHEMBL21049581

SCHEMBL21049581

CCCCCCCCCC[n+]1c(C(=O)[O-])n(C)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
ICMT O60725 1/20 0.38
KDM4E B2RXH2 4/20 0.38
HTT P42858 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
NPSR1 Q6W5P4 3/20 0.37
MAPK1 P28482 3/20 0.37
RAD52 P43351 2/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 2/20 0.37
RGS12 O14924 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.37
MCL1 Q07820 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
SCHEMBL21049569 1.00 PTPN1 (0.41) PTPN1ICMTKDM4EHTTAPOBEC3A
SCHEMBL22189081 1.00 PTPN1 (0.41) PTPN1ICMTKDM4EHTTAPOBEC3A
SCHEMBL21049548 1.00 PTPN1 (0.41) PTPN1ICMTKDM4EHTTAPOBEC3A
SCHEMBL20002044 0.95 PTPN1 (0.46) PTPN1ICMTKDM4EHTTAPOBEC3A
SCHEMBL22189012 0.87 NPSR1 (0.43) PTPN1ICMTKDM4EHTTNPSR1
SCHEMBL21049616 0.83 LMNA (0.36) KDM4EMEN1KMT2ALMNASMN1; SMN2
SCHEMBL12604823 0.82 PTPN1 (0.47) PTPN1KDM4ENPSR1MEN1NPC1
SCHEMBL22189077 0.82 PTPN1 (0.44) PTPN1KDM4EHTTNPSR1MEN1
SCHEMBL20002045 0.79 PTPN1 (0.44) PTPN1KDM4EHTTAPOBEC3AAPOBEC3G
SCHEMBL21049642 0.77 LMNA (0.42) KDM4EAPOBEC3AAPOBEC3GNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604287-B1 PRODUCTION METHOD FOR AMIDATE COMPOUND KOEI CHEMICAL CO (JP) 2022-08-03 EP disclosed
EP-3495353-B1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL CO (JP) 2021-11-17 EP disclosed
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin KOEI CHEMICAL COMPANY, LIMITED (JP) 2020-06-23 US disclosed
EP-3604287-A1 PRODUCTION METHOD FOR AMIDATE COMPOUND Koei Chemical Company, Limited (JP) 2020-02-05 EP disclosed
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN KOEI CHEMICAL COMPANY, LIMITED (JP) 2019-06-13 US disclosed
EP-3495353-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN Koei Chemical Company, Limited (JP) 2019-06-12 EP 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 (2 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-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 PTPN1 4500/4885ICMT 2047/4885KDM4E 2519/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 PTPN1 4500/4885ICMT 2047/4885KDM4E 2519/4885

“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.