SCHEMBL21169209

SCHEMBL21169209

COC(=O)c1cc(CC(C)C)c(C)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
CSNK2A2 P19784 1/20 0.40
KDR P35968 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
ALDH1A1 P00352 9/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 4/20 0.39
MAPK1 P28482 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
ATM Q13315 2/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.38
ACKR3 P25106 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 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
SCHEMBL2290334 0.85 ALDH1A1 (0.53) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL19049035 0.83 ALDH1A1 (0.54) KDM4ELMNAMAPTCSNK2A2KDR
SCHEMBL2290982 0.81 ALDH1A1 (0.39) KDM4EMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL2295523 0.81 ALDH1A1 (0.46) KDM4ELMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL18997394 0.79 HPGD (0.43) KDM4ELMNAMAPTCSNK2A2KDR
SCHEMBL19002552 0.79 ALDH1A1 (0.43) KDM4EMAPTCSNK2A2KDRCSNK2B
SCHEMBL21740768 0.75 HPGD (0.47) KDM4ELMNAMAPTCSNK2A2KDR
SCHEMBL8185273 0.73 HPGD (0.56) LMNAALDH1A1HPGDMAPK1NPSR1
SCHEMBL9925990 0.73 KDM4E (0.67) KDM4ELMNAMAPTCSNK2A2KDR
SCHEMBL14391003 0.70 KDM4E (0.47) KDM4ELMNAMAPTCSNK2A2KDR

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-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 KDM4E 3018/4885LMNA 3409/4885MAPT 2188/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 KDM4E 3392/4885LMNA 3509/4885MAPT 2731/4885

“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.