SCHEMBL4570828

SCHEMBL4570828

CCOC1=CC(C)=C(C)C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
GRK6 P43250 2/20 0.37
PABPC1 P11940 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.36
RECQL P46063 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NQO1 P15559 1/20 0.33
PTPRC P08575 1/20 0.32
CDC25B P30305 1/20 0.32
ALDH1A1 P00352 1/20 0.30
LTA4H P09960 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
SCHEMBL19979197 0.67 PTGS2 (0.41) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL7714332 0.66
SCHEMBL16919591 0.64 NQO1 (0.30) NQO1
SCHEMBL3980701 0.64
SCHEMBL6285473 0.64
SCHEMBL13797789 0.63
SCHEMBL6688525 0.63 PREP (0.36)
SCHEMBL14553270 0.61
SCHEMBL21648164 0.61
SCHEMBL9427607 0.61

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-8173628-B2 Therapy for hormone sensitive diseases; side effect reduction; anticancer agents; osteoporosis; endometriosis; benign prostatic hyperplasia; cardiovascular disorders; acne NORTHEASTERN UNIVERSITY (US) 2012-05-08 US disclosed
US-20080166301-A1 Steroidal antiestrogens and antiandrogens and uses thereof NORTHEASTERN UNIVERSITY 2008-07-10 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-20080166301-A1 Steroidal antiestrogens and antiandrogens and uses thereof NR5A1, SHBG, AR MEN1 559/4885KMT2A 1869/4885KDM4E 1437/4885

“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.