SCHEMBL18911024

SCHEMBL18911024

CCC(C)CCN1CCN(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.35
PAOX Q6QHF9 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTR1A P08908 1/20 0.32
MC4R P32245 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
GAA P10253 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 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
SCHEMBL20384682 0.87 PAOX (0.40) SIGMAR1PAOXUSP2ALDH1A1CSNK2A2
SCHEMBL18708827 0.86 SIGMAR1 (0.33) SIGMAR1USP2ALDH1A1KDM4E
SCHEMBL21120546 0.85 PAOX (0.43) SIGMAR1PAOXUSP2ALDH1A1CSNK2A2
SCHEMBL22857505 0.84 TSHR (0.36) SIGMAR1PAOXUSP2ALDH1A1HTR1A
SCHEMBL10041869 0.84 CARM1 (0.39) ALDH1A1KDM4E
SCHEMBL7290324 0.82 HRH3 (0.42) ALDH1A1
SCHEMBL25623721 0.79 HSD11B1 (0.36) USP2ALDH1A1
SCHEMBL24713588 0.79 KDM4E (0.42) SIGMAR1USP2ALDH1A1HTR1AMC4R
SCHEMBL21779744 0.79 SIGMAR1 (0.36) SIGMAR1PAOXUSP2MC4RKDM4E
SCHEMBL22550677 0.79 KDM4E (0.42) SIGMAR1USP2ALDH1A1HTR1AMC4R

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-4275759-A2 QUINOLINE DERIVATIVES AS CHROMOBOX (CBX) PROTEIN INHIBITORS FOR TREATING CANCER Dana-Farber Cancer Institute, Inc. (US) 2023-11-15 EP disclosed
US-10752705-B2 Oligosaccharide compositions and methods for producing thereof CADENA BIO, INC. (US) 2020-08-25 US disclosed
WO-2018058029-A1 CHROMOBOX PROTEIN INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-03-29 WO disclosed
US-9884863-B2 STAT3 inhibitor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-02-06 US disclosed
US-9815834-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-11-14 US disclosed
US-20170152260-A1 STAT3 INHIBITOR BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-01 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 (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-20170152260-A1 STAT3 INHIBITOR STAT3, STAT1, STAT4 SIGMAR1 4216/4885PAOX 2082/4885USP2 1812/4885
US-10752705-B2 Oligosaccharide compositions and methods for producing thereof OSTC, FUT5, FUT6 SIGMAR1 4360/4885PAOX 345/4885USP2 3312/4885

“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.