Sugi Predict

Sugi Predict / Compounds / SCHEMBL4610332

SCHEMBL4610332

SCHEMBL4610332

CCOc1ccc2c(c1)C(C)(C)[C@H]1COc3cccc(OC)c3[C@H]1N2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALOX12 P18054 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TP53 P04637 3/20 0.32
▸ MAPT P10636 2/20 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
SCHEMBL4563502 0.86 HCRTR1 (0.41) CYP3A4HCRTR1HCRTR2
SCHEMBL4564297 0.85 PGR (0.35) ALDH1A1KDM4EKMT2AHPGDHIF1A
SCHEMBL4855306 0.85 NR3C1 (0.35) HSD11B1NR3C1HTR1AHTR2AHTR2C
SCHEMBL4564249 0.84 NR3C1 (0.31) NR3C1
SCHEMBL4866562 0.84 HSP90AA1 (0.34) MEN1KMT2ALMNAALOX15TP53
SCHEMBL4570046 0.83 HCRTR1 (0.32) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL4556232 0.82 CYP19A1 (0.34) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL4865539 0.82 CYP19A1 (0.34) TSHRALDH1A1KDM4EMEN1KMT2A
SCHEMBL4608633 0.82 HSD11B1 (0.33) HSD11B1NR3C1
SCHEMBL4564288 0.82 HDAC4 (0.33) HPGDSMN1; SMN2NR3C1

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
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
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 — — EP 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
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 — — WO 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 TSHR 3101/4885HSD11B1 267/4885ALDH1A1 1804/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP TSHR 3101/4885HSD11B1 267/4885ALDH1A1 1804/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP TSHR 3101/4885HSD11B1 267/4885ALDH1A1 1804/4885

“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.