SCHEMBL21900461

SCHEMBL21900461

CCCC(C)(C)Cc1cc(=O)oc2cc(C)c(C)cc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
POLB P06746 4/20 0.50
KMT2A Q03164 7/20 0.48
MEN1 O00255 5/20 0.48
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 7/20 0.48
TSHR P16473 4/20 0.48
HPGD P15428 3/20 0.48
ALDH1A2 O94788 1/20 0.47
ALDH2 P05091 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1B1 P30837 1/20 0.47
ALDH1A3 P47895 1/20 0.47
MCL1 Q07820 1/20 0.43
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B3 P37058 1/20 0.41

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
SCHEMBL19002496 0.91 KDM4E (0.53) KDM4EPOLBKMT2AMEN1HSD17B10
SCHEMBL18997404 0.86 KDM4E (0.54) KDM4EPOLBKMT2AMEN1HSD17B10
SCHEMBL19002490 0.81 ALDH1A1 (0.68) KDM4EPOLBKMT2AMEN1HSD17B10
SCHEMBL24160929 0.73 KDM4E (0.54) KDM4EPOLBKMT2AMEN1HSD17B10
SCHEMBL11416864 0.72 AKR1B1 (0.69) KDM4EPOLBKMT2AMEN1HSD17B10
SCHEMBL19354132 0.71 KDM4E (0.51) KDM4EPOLBKMT2AMEN1HSD17B10
4,6,7-Trimethyl-2H-Chromen-2-One SCHEMBL19049403 0.70 KDM4E (0.68) KDM4EHSD17B10ALDH1A1TSHRHPGD
SCHEMBL14925273 0.70 MCL1 (0.67) KDM4EPOLBKMT2AMEN1HSD17B10
SCHEMBL22046974 0.68 ALDH1A1 (0.66) KDM4EPOLBKMT2AMEN1HSD17B10
SCHEMBL13633395 0.68 KMT2A (0.56) KDM4EPOLBKMT2AMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-09 US disclosed
US-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-04-23 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-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS KDM4E 4215/4885POLB 3534/4885KMT2A 4024/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KDM4E 4215/4885POLB 3534/4885KMT2A 4024/4885

“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.