SCHEMBL4611705

SCHEMBL4611705

COc1cccc2c1OC[C@@H]1[C@H]2Nc2ccccc2C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
HTR2C P28335 2/20 0.35
CREBBP Q92793 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.33
TERT O14746 1/20 0.33
HTR1A P08908 2/20 0.33
BACE1 P56817 1/20 0.32
CYP19A1 P11511 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
SCHEMBL4555974 1.00 ALDH1A1 (0.38) ALDH1A1HPGDKDM4ETDP1MAPT
SCHEMBL4864827 0.87 ALDH1A1 (0.36) ALDH1A1KDM4EGAATSHRLMNA
SCHEMBL4555957 0.86 KMT2A (0.35) ALDH1A1KDM4EMAPTHTTLMNA
SCHEMBL4555136 0.86 KMT2A (0.35) ALDH1A1KDM4EMAPTHTTLMNA
SCHEMBL4564321 0.86 KMT2A (0.35) ALDH1A1KDM4EMAPTHTTLMNA
SCHEMBL4556424 0.86 ALDH1A1 (0.35) ALDH1A1HPGDKDM4ETDP1MAPT
SCHEMBL4555685 0.84 CREBBP (0.36) ALDH1A1LMNAHTR2CCREBBP
SCHEMBL4555945 0.84 CREBBP (0.36) ALDH1A1LMNAHTR2CCREBBP
SCHEMBL4555981 0.84 KIF11 (0.35) ALDH1A1HPGDKDM4ETDP1MAPT
SCHEMBL4866323 0.84 KIF11 (0.35) ALDH1A1HPGDKDM4ETDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US claimed
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 EP claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 US claimed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 WO 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 ALDH1A1 1804/4885HPGD 1269/4885KDM4E 4502/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP ALDH1A1 1804/4885HPGD 1269/4885KDM4E 4502/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP ALDH1A1 1804/4885HPGD 1269/4885KDM4E 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.