SCHEMBL16077007

SCHEMBL16077007

Cc1cc2c(c(C)c1OCC(=O)C(C)C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.60
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PDE4A P27815 1/20 0.55
PDE3A Q14432 1/20 0.55
GSTO1 P78417 2/20 0.52
PTPN1 P18031 1/20 0.51
LMNA P02545 3/20 0.50
TTPA P49638 3/20 0.50
MAPT P10636 2/20 0.50
GSTP1 P09211 1/20 0.50
USP2 O75604 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
AKT1 P31749 3/20 0.45
NR1I2 O75469 2/20 0.44
ALOX5 P09917 2/20 0.44

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
SCHEMBL16077006 0.88 GSTO1 (0.56) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL10295720 0.85 PSEN1 (0.52) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL12919621 0.84 PSEN1 (0.84) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL12989326 0.83 MEN1 (0.53) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL16077004 0.82 PSEN1 (0.50) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL13139050 0.81 PSEN1 (0.51) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL16077014 0.81 GSTO1 (0.49) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL16260622 0.81 LMNA (0.67) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL1258674 0.81 LMNA (0.67) PSEN1MEN1KMT2APDE4APDE3A
SCHEMBL28390427 0.81 LMNA (0.67) PSEN1MEN1KMT2APDE4APDE3A

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-9133225-B2 Dual targeting anticancer agents MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-09-15 US disclosed
US-20140274988-A1 DUAL TARGETING ANTICANCER AGENTS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-09-18 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 (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-20140274988-A1 DUAL TARGETING ANTICANCER AGENTS CCNE1, CCNE2, VHL PSEN1 1185/4885MEN1 1984/4885KMT2A 2016/4885

“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.