SCHEMBL16596095

SCHEMBL16596095

CONC(=O)[C@@H]1CC2Oc3cc(C)cc(OC)c3C2[C@@H]1O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL23889639 0.67 EIF4A1 (0.32) —
SCHEMBL24180260 0.61 CYP3A4 (0.33) KMT2AKDM4E
SCHEMBL24426966 0.61 — —
SCHEMBL12863057 0.58 GAA (0.42) RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL16751353 0.57 HTT (0.40) SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL16298832 0.56 SLC6A2 (0.47) RAB9ASMN1; SMN2MEN1KMT2ATDP1
SCHEMBL16298826 0.56 SLC6A2 (0.47) RAB9ASMN1; SMN2MEN1KMT2ATDP1
SCHEMBL17054161 0.55 ALDH1A1 (0.56) TDP1
SCHEMBL17087121 0.54 ACHE (0.50) SMN1; SMN2L3MBTL1MEN1KMT2ATDP1
SCHEMBL19468424 0.54 ACHE (0.45) RAB9ASMN1; SMN2MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150087598-A1 TREATING MUC1-EXPRESSING CANCERS WITH HELICASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-03-26 — — 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 (1 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-20150087598-A1 TREATING MUC1-EXPRESSING CANCERS WITH HELICASE INHIBITORS MUC1, DDX21, DDX39B RAB9A 1024/4885SMN1; SMN2 4162/4885L3MBTL1 1274/4885

“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.

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