SCHEMBL27417867

SCHEMBL27417867

COc1c(O)c(C)c2c(c1OC)OC(C)(CCCC(C)CCCC(C)C)CC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.74
TTPA P49638 3/20 0.74
MAPT P10636 2/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
GSTP1 P09211 1/20 0.74
USP2 O75604 1/20 0.74
THRB P10828 1/20 0.74
CYP2C9 P11712 1/20 0.74
CYP2C19 P33261 1/20 0.74
PDE4A P27815 1/20 0.64
PDE3A Q14432 1/20 0.64
NR1I2 O75469 2/20 0.64
GSTO1 P78417 2/20 0.63
PSEN1 P49768 2/20 0.62
ALOX5 P09917 1/20 0.59
PTPN1 P18031 1/20 0.59
AKT1 P31749 4/20 0.53
PDPK1 O15530 1/20 0.50
PHLPP1 O60346 1/20 0.50

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
Alpha-Tocopherol SCHEMBL2363382 0.87 LMNA (0.93) LMNATTPAMAPTMEN1KMT2A
Alpha-Tocopherol SCHEMBL25189686 0.87 LMNA (0.93) LMNATTPAMAPTMEN1KMT2A
SCHEMBL13017369 0.87 MEN1 (0.75) LMNATTPAMAPTMEN1KMT2A
SCHEMBL15478529 0.87 MEN1 (0.75) LMNATTPAMAPTMEN1KMT2A
SCHEMBL15102111 0.87 MEN1 (0.75) LMNATTPAMAPTMEN1KMT2A
SCHEMBL24917316 0.87 MEN1 (0.75) LMNATTPAMAPTMEN1KMT2A
SCHEMBL4714113 0.87 MEN1 (0.75) LMNATTPAMAPTMEN1KMT2A
SCHEMBL23076488 0.87 MEN1 (0.75) LMNATTPAMAPTMEN1KMT2A
SCHEMBL18687258 0.87 MEN1 (0.75) LMNATTPAMAPTMEN1KMT2A
Alpha-Tocopherol SCHEMBL16451007 0.85 LMNA (1.00) LMNATTPAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228454-A1 RING CLOSURE OF BENZOQUINONES CONTAINING AN UNSATURATED SIDE CHAIN USING A BASE IN TWO-PHASE SYSTEM DSM IP ASSETS B.V. (NL) 2024-07-11 US disclosed
US-20240228454-A1 RING CLOSURE OF BENZOQUINONES CONTAINING AN UNSATURATED SIDE CHAIN USING A BASE IN TWO-PHASE SYSTEM DSM IP ASSETS B.V. (NL) 2024-07-11 US disclosed
US-20240217941-A1 RING CLOSURE OF BENZOQUINONES CONTAINING AN UNSATURATED SIDE CHAIN USING A BASIC CATALYST DSM IP ASSETS B.V. (NL) 2024-07-04 US disclosed
US-20240217941-A1 RING CLOSURE OF BENZOQUINONES CONTAINING AN UNSATURATED SIDE CHAIN USING A BASIC CATALYST DSM IP ASSETS B.V. (NL) 2024-07-04 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-20240217941-A1 RING CLOSURE OF BENZOQUINONES CONTAINING AN UNSATURATED SIDE CHAIN USING A BASIC CATALYST SQLE, VKORC1, TTPA LMNA 1226/4885TTPA 3/4885MAPT 4633/4885
US-20240228454-A1 RING CLOSURE OF BENZOQUINONES CONTAINING AN UNSATURATED SIDE CHAIN USING A BASE IN TWO-PHASE SYSTEM TTPA, SQLE, VKORC1 LMNA 770/4885TTPA 1/4885MAPT 4362/4885

“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.