SCHEMBL4815862

SCHEMBL4815862

COc1cc(I)cc2c1OC[C@@H]1[C@@H]2Nc2ccc(-n3ncc(C(=O)O)c3C)cc2C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KEAP1 Q14145 2/20 0.31
NFE2L2 Q16236 2/20 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
SCHEMBL4816654 1.00 MAPT (0.34) MAPTALDH1A1NPSR1NPC1RAB9A
SCHEMBL4564230 0.82 MAPT (0.36) MAPTALDH1A1NPSR1NPC1RAB9A
SCHEMBL4611655 0.73 GUCY1A1 (0.37) MAPTALDH1A1NPSR1RAB9A
SCHEMBL4598406 0.68 AR (0.36) MAPTALDH1A1
SCHEMBL4556328 0.68 AR (0.36) MAPTALDH1A1
SCHEMBL5666994 0.68 AR (0.36) MAPTALDH1A1
SCHEMBL4556510 0.67 ROCK2 (0.40)
SCHEMBL4556008 0.66 PSMB5 (0.39) ALDH1A1NPSR1
SCHEMBL4555203 0.66 EGLN1 (0.38)
SCHEMBL4610345 0.65 FFAR1 (0.36) ALDH1A1

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 MAPT 4361/4885ALDH1A1 1804/4885NPSR1 2921/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP MAPT 4361/4885ALDH1A1 1804/4885NPSR1 2921/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP MAPT 4361/4885ALDH1A1 1804/4885NPSR1 2921/4885

“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.