SCHEMBL21929591

SCHEMBL21929591

Cc1c(C)c2c(c(C)c1O)C=C[C@](C)(CCCC(C)CCCC(C)CCCC(C)C)O2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
MAPT P10636 2/20 0.55
TTPA P49638 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GSTP1 P09211 1/20 0.55
USP2 O75604 1/20 0.55
THRB P10828 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NR1I2 O75469 2/20 0.46
ALOX5 P09917 1/20 0.43
AKT1 P31749 5/20 0.40
PDPK1 O15530 1/20 0.40
PHLPP1 O60346 1/20 0.40
ILK Q13418 1/20 0.40
PDE4A P27815 1/20 0.40
PDE3A Q14432 1/20 0.40
GSTO1 P78417 2/20 0.39
PSEN1 P49768 2/20 0.39

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
SCHEMBL21931411 1.00 LMNA (0.55) LMNAMAPTTTPAMEN1KMT2A
SCHEMBL21131789 1.00 LMNA (0.55) LMNAMAPTTTPAMEN1KMT2A
SCHEMBL21931412 1.00 LMNA (0.55) LMNAMAPTTTPAMEN1KMT2A
SCHEMBL9285268 1.00 LMNA (0.55) LMNAMAPTTTPAMEN1KMT2A
SCHEMBL21929589 1.00 LMNA (0.55) LMNAMAPTTTPAMEN1KMT2A
SCHEMBL20646344 0.92 LMNA (0.48) LMNAMAPTTTPAMEN1KMT2A
SCHEMBL21754694 0.91 LMNA (0.48) LMNAMAPTTTPAMEN1KMT2A
SCHEMBL20646435 0.85 LMNA (0.43) LMNAMAPTTTPAMEN1KMT2A
SCHEMBL2635649 0.85 LMNA (0.43) LMNAMAPTTTPAMEN1KMT2A
SCHEMBL28448490 0.83 LMNA (0.40) LMNAMAPTTTPAMEN1KMT2A

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-11724996-B2 Synthesis of intermediates for the preparation of alpha-tocopherol DSM IP ASSETS B.V. (NL) 2023-08-15 US disclosed
US-11724996-B2 Synthesis of intermediates for the preparation of alpha-tocopherol DSM IP ASSETS B.V. (NL) 2023-08-15 US disclosed
US-20210300886-A1 SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF ALPHA-TOCOPHEROL DSM IP ASSETS BV (NL) 2021-09-30 US disclosed
US-20200131145-A1 NOVEL SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF ALPHA-TOCOPHEROL DSM IP ASSETS B.V. (NL) 2020-04-30 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 (3 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-20210300886-A1 SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF ALPHA-TOCOPHEROL TTPA, DHPS, SQLE LMNA 1425/4885MAPT 4091/4885TTPA 1/4885
US-20200131145-A1 NOVEL SYNTHESIS OF INTERMEDIATES FOR THE PREPARATION OF ALPHA-TOCOPHEROL TTPA, VKORC1, SQLE LMNA 1413/4885MAPT 3971/4885TTPA 1/4885
US-11724996-B2 Synthesis of intermediates for the preparation of alpha-tocopherol TTPA, DHPS, SQLE LMNA 1425/4885MAPT 4091/4885TTPA 1/4885

“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.