SCHEMBL20002044

SCHEMBL20002044

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 4/20 0.35
ICMT O60725 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
ALDH1A1 P00352 4/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APOBEC3A P31941 1/20 0.33
HTT P42858 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL21049581 0.95 PTPN1 (0.41) PTPN1MEN1KMT2ANPC1ATM
SCHEMBL22189081 0.95 PTPN1 (0.41) PTPN1MEN1KMT2ANPC1ATM
SCHEMBL21049569 0.95 PTPN1 (0.41) PTPN1MEN1KMT2ANPC1ATM
SCHEMBL21049548 0.95 PTPN1 (0.41) PTPN1MEN1KMT2ANPC1ATM
SCHEMBL12604823 0.87 PTPN1 (0.47) PTPN1MEN1KMT2ANPC1ATM
SCHEMBL22189077 0.86 PTPN1 (0.44) PTPN1MEN1KMT2ANPC1ATM
SCHEMBL21049616 0.85 LMNA (0.36) MEN1KMT2AKDM4ETSHRLMNA
SCHEMBL20002045 0.84 PTPN1 (0.44) PTPN1MEN1KMT2ANPC1ATM
SCHEMBL22189012 0.82 NPSR1 (0.43) PTPN1KDM4EICMTALDH1A1HTT
SCHEMBL21049642 0.79 LMNA (0.42) MEN1KMT2ANPC1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-09-21 US disclosed
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-08-08 US disclosed
CN-109563050-B Amide salt compound, catalyst for polyurethane production and method for producing polyurethane resin 广荣化学株式会社 2023-06-02 CN disclosed
EP-3604287-B1 PRODUCTION METHOD FOR AMIDATE COMPOUND KOEI CHEMICAL CO (JP) 2022-08-03 EP disclosed
CN-111094375-B Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same 广荣化学株式会社 2022-04-01 CN 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-10913724-B2 Production method for amidate compound KOEI CHEMICAL COMPANY, LIMITED (JP) 2021-02-09 US disclosed
EP-3689931-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT Koei Chemical Company, Limited (JP) 2020-08-05 EP disclosed
US-20200216600-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT KOEI CHEMICAL COMPANY, LIMITED (JP) 2020-07-09 US 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
CN-111094375-A Blocking agent dissociation catalyst for blocked isocyanate and thermosetting composition containing the same 广荣化学工业株式会社 2020-05-01 CN 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
EP-2392606-B1 PREPARATION METHOD OF POLYLACTIC ACID BY CATALYSIS OF CARBENE DERIVATIVES NANJING UNIVERSITY OF TECHNOLOGY (CN) 2018-03-28 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 (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-10913724-B2 Production method for amidate compound NAAA, PAM, CCKBR PTPN1 4679/4885MEN1 374/4885KMT2A 3515/4885
US-20230295368-A1 CATALYST FOR DISSOCIATION OF BLOCKING AGENT FOR BLOCKED ISOCYANATES, AND THERMOSETTING COMPOSITION CONTAINING SAID CATALYST FOR DISSOCIATION OF BLOCKING AGENT IDH3A, RCOR1, MUS81 PTPN1 3433/4885MEN1 176/4885KMT2A 236/4885
US-10689478-B2 Amidate compound, catalyst for polyurethane production, and method for producing polyurethane resin ARG1, NIT2, RER1 PTPN1 4500/4885MEN1 3059/4885KMT2A 1100/4885
US-20190177464-A1 AMIDATE COMPOUND, CATALYST FOR POLYURETHANE PRODUCTION, AND METHOD FOR PRODUCING POLYURETHANE RESIN ARG1, NIT2, RER1 PTPN1 4500/4885MEN1 3059/4885KMT2A 1100/4885
US-11718704-B2 Catalyst for dissociation of blocking agent for blocked isocyanates, and thermosetting composition containing said catalyst for dissociation of blocking agent IDH3A, RCOR1, MUS81 PTPN1 3433/4885MEN1 176/4885KMT2A 236/4885

“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.