SCHEMBL4814831

SCHEMBL4814831

COc1cccc2c1[C@H]1Nc3ccc(C(=O)N(C)C)cc3C(C)(C)[C@H]1CO2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
NR3C1 P04150 6/20 0.34
TTK P33981 5/20 0.33
NR3C2 P08235 1/20 0.33
AR P10275 1/20 0.33
XIAP P98170 1/20 0.33
HPGD P15428 1/20 0.32
F10 P00742 1/20 0.32
ERN1 O75460 1/20 0.32
PGR P06401 2/20 0.31
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
IP6K1 Q92551 1/20 0.31

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
SCHEMBL4439335 1.00 LMNA (0.34) LMNAPOLBNR3C1TTKNR3C2
SCHEMBL4566100 0.91 KMT2A (0.36) LMNAPOLBARPGR
SCHEMBL4555973 0.90 MAPT (0.36) F10
SCHEMBL4863672 0.90 MAPT (0.36) F10
SCHEMBL4611328 0.89 F10 (0.36) POLBF10
SCHEMBL4810475 0.86 TTK (0.31) TTK
SCHEMBL4566784 0.85 RARA (0.43) LMNAPGR
SCHEMBL4864199 0.84 PDE4A (0.39) F10ERN1ROCK2
SCHEMBL4811546 0.84 NPC1 (0.39) POLB
SCHEMBL14625088 0.84 NPC1 (0.39) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US claimed
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP LMNA 830/4885POLB 2998/4885NR3C1 1692/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP LMNA 830/4885POLB 2998/4885NR3C1 1692/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP LMNA 830/4885POLB 2998/4885NR3C1 1692/4885

“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.