Sugi Predict

Sugi Predict / Compounds / SCHEMBL4865539

SCHEMBL4865539

SCHEMBL4865539

COc1cccc2c1[C@H]1Nc3ccccc3C(C)(C)[C@H]1CO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ HTR1A P08908 5/20 0.34
▸ ALDH1A1 P00352 5/20 0.33
▸ TSHR P16473 3/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ADRA1D P25100 5/20 0.32
▸ ADRA1A P35348 5/20 0.32
▸ ADRA1B P35368 5/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ THPO P40225 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
SCHEMBL4556232 1.00 CYP19A1 (0.34) CYP19A1CREBBPHTR1AALDH1A1TSHR
SCHEMBL4855306 0.87 NR3C1 (0.35) CREBBPHTR1APKMHTR2AHTR2C
SCHEMBL4864334 0.86 ADRA1D (0.35) ADRA1DADRA1AADRA1B
SCHEMBL4612431 0.86 ADRA1D (0.35) ADRA1DADRA1AADRA1B
SCHEMBL4564249 0.86 NR3C1 (0.31) —
SCHEMBL4866562 0.86 HSP90AA1 (0.34) LMNAKMT2AMEN1MAPTHTT
SCHEMBL4564288 0.84 HDAC4 (0.33) CYP19A1HPGDADRA2AADRA2BADRA2C
SCHEMBL4864081 0.84 HSD11B1 (0.33) —
SCHEMBL4858243 0.84 HDAC4 (0.33) CYP19A1HPGDADRA2AADRA2BADRA2C
SCHEMBL4608633 0.84 HSD11B1 (0.33) —

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 CYP19A1 1676/4885CREBBP 247/4885HTR1A 2598/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP CYP19A1 1676/4885CREBBP 247/4885HTR1A 2598/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP CYP19A1 1676/4885CREBBP 247/4885HTR1A 2598/4885

“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.