Sugi Predict

Sugi Predict / Compounds / SCHEMBL4866323

SCHEMBL4866323

SCHEMBL4866323

COc1cccc2c1OC[C@@H]1[C@H]2Nc2ccc(C(C)C)cc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ PSMB5 P28074 1/20 0.30
▸ TERT O14746 1/20 0.30

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
SCHEMBL4555981 1.00 KIF11 (0.35) KIF11ALDH1A1HPGDKDM4ELMNA
SCHEMBL4864827 0.87 ALDH1A1 (0.36) ALDH1A1KDM4ELMNAMAPK1GAA
SCHEMBL4556424 0.86 ALDH1A1 (0.35) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4555136 0.86 KMT2A (0.35) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL4564321 0.86 KMT2A (0.35) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL4555957 0.86 KMT2A (0.35) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL4555974 0.84 ALDH1A1 (0.38) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4611705 0.84 ALDH1A1 (0.38) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL4564288 0.84 HDAC4 (0.33) KIF11HPGDHDAC4HDAC8GAA
SCHEMBL4858243 0.84 HDAC4 (0.33) KIF11HPGDHDAC4HDAC8GAA

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 KIF11 4094/4885ALDH1A1 1804/4885HPGD 1269/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP KIF11 4094/4885ALDH1A1 1804/4885HPGD 1269/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP KIF11 4094/4885ALDH1A1 1804/4885HPGD 1269/4885

“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.