SCHEMBL4429121

SCHEMBL4429121

CCCCCCCC#C[CH]C#CCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.45
PTPN7 P35236 5/20 0.45
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4169864 1.00 HMGCR (0.45) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL3023466 0.97 HMGCR (0.43) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL59533 0.95 HMGCR (0.41) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL2571403 0.84 TSHR (0.38) HMGCRPTPN7TSHR
SCHEMBL5168900 0.83 HMGCR (0.41) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL5170459 0.83 HMGCR (0.41) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL5169808 0.83 HMGCR (0.41) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL2118927 0.82 HMGCR (0.43) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL5167000 0.82 HMGCR (0.43) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL5166824 0.82 HMGCR (0.43) HMGCRPTPN7TSHRTHRBRECQL

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-11464770-B2 Anticancer pharmaceutical composition KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-10-11 US disclosed
US-20210315879-A1 ANTICANCER PHARMACEUTICAL COMPOSITION NATIONAL CANCER CENTER (KR) 2021-10-14 US disclosed
EP-3492082-A1 ANTICANCER PHARMACEUTICAL COMPOSITION National Cancer Center (KR) 2019-06-05 EP disclosed
CN-109715159-A Anticancer medicine composition 国立癌症中心 2019-05-03 CN disclosed
CN-109715607-A Compounds that inhibit the formation of the C-MYC/MAX/DNA complex 国立癌症中心 2019-05-03 CN disclosed
WO-2013072758-A1 PYRIMIDINE DIOL AMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. (US) 2013-05-23 WO disclosed
EP-1487436-A4 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS SIGNAL PHARM INC (US) 2009-06-03 EP disclosed
EP-1487436-A1 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS Signal Pharmaceuticals, Inc. (US) 2004-12-22 EP disclosed
WO-2003075917-A1 COMBINATION THERAPY FOR TREATING, PREVENTING OR MANAGING PROLIFERATIVE DISORDERS AND CANCERS SIGNAL PHARMACEUTICALS, INC. (US) 2003-09-18 WO 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-11464770-B2 Anticancer pharmaceutical composition MYC, MYCBP, TP53 HMGCR 733/4885PTPN7 2945/4885TSHR 4683/4885
US-20210315879-A1 ANTICANCER PHARMACEUTICAL COMPOSITION MYC, MYCBP, TP53 HMGCR 733/4885PTPN7 2945/4885TSHR 4683/4885

“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.