SCHEMBL4545007

SCHEMBL4545007

CCN(CC)CCOCCOC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
CHRM2 P08172 7/20 0.40
CHRM1 P11229 7/20 0.40
KDM4E B2RXH2 3/20 0.40
DRD3 P35462 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC22A1 O15245 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
PRCP P42785 1/20 0.36

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
SCHEMBL18323717 1.00 MEN1 (0.50) MEN1POLBKMT2ACHRM2CHRM1
SCHEMBL22953317 1.00 MEN1 (0.50) MEN1POLBKMT2ACHRM2CHRM1
SCHEMBL9191084 0.95 MEN1 (0.45) MEN1POLBKMT2ACHRM2CHRM1
SCHEMBL19554733 0.95 MEN1 (0.45) MEN1POLBKMT2ACHRM2CHRM1
SCHEMBL12918863 0.89 MEN1 (0.58) MEN1POLBKMT2ACHRM2CHRM1
SCHEMBL9705183 0.89 MEN1 (0.58) MEN1POLBKMT2ACHRM2CHRM1
SCHEMBL28154335 0.87 CA2 (0.35) MEN1POLBKMT2AKDM4ECYP3A4
SCHEMBL8530912 0.87 CA2 (0.35) MEN1POLBKMT2AKDM4ECYP3A4
SCHEMBL24177721 0.87 BLM (0.42) MEN1POLBKMT2ABLMPMP22
SCHEMBL9481973 0.87 BLM (0.42) MEN1POLBKMT2ABLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
CN-117813334-A Onium salt, blocking agent dissociation catalyst for blocking isocyanate, blocked isocyanate composition containing blocking agent dissociation catalyst, thermosetting resin composition, cured product, and method for producing same 广荣化学株式会社 2024-04-02 CN disclosed
US-11713361-B2 Hydrogenation catalyst compositions and their use for hydrogenation of nitrile rubber ARLANXEO DEUTSCHLAND GMBH (DE) 2023-08-01 US disclosed
CN-112548113-A Preparation method of silver nanoparticles 中国科学院深圳先进技术研究院 2021-03-26 CN disclosed
US-20180075978-A1 PHOTOELECTRIC CONVERSION DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-15 US disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-20120111411-A1 FULLERENE DERIVATIVE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2012-05-10 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 (4 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-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK MEN1 4367/4885POLB 125/4885KMT2A 3692/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB MEN1 4336/4885POLB 145/4885KMT2A 1946/4885
US-20120111411-A1 FULLERENE DERIVATIVE HCN2, KCNN2, TMEM109 MEN1 748/4885POLB 3461/4885KMT2A 2633/4885
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B MEN1 2030/4885POLB 3154/4885KMT2A 2608/4885

“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.