SCHEMBL4817855

SCHEMBL4817855

COc1cccc2c1SC[C@@H]1[C@H]2Nc2ccccc2C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CREBBP Q92793 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HTR2C P28335 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.33
HSD11B1 P28845 4/20 0.33
TSHR P16473 1/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32

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
SCHEMBL4598285 1.00 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EGAAHTT
SCHEMBL4810522 0.87 HSD11B1 (0.38) ALDH1A1MAPTKDM4EGAAHTT
SCHEMBL4599218 0.84 CREBBP (0.32) CREBBPHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL4597407 0.84 CREBBP (0.32) CREBBPHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL4598623 0.84 HPGD (0.33) ALDH1A1MAPTKDM4EGAAHTT
SCHEMBL4816506 0.84 HPGD (0.33) ALDH1A1MAPTKDM4EGAAHTT
SCHEMBL4813240 0.82 MAPT (0.35) ALDH1A1MAPTTDP1POLBKMT2A
SCHEMBL4556342 0.82 F2 (0.33) MAPTTP53
SCHEMBL4816710 0.82 KIF11 (0.36) HTR2CKCNH2
SCHEMBL4815232 0.81 CREBBP (0.37) ALDH1A1MAPTKDM4EGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1804/4885MAPT 4361/4885KDM4E 4502/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP ALDH1A1 1804/4885MAPT 4361/4885KDM4E 4502/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ALDH1A1 1804/4885MAPT 4361/4885KDM4E 4502/4885

“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.