SCHEMBL4855306

SCHEMBL4855306

COc1cccc2c1[C@H]1Nc3ccc(F)cc3C(C)(C)[C@H]1CO2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.35
HTR1A P08908 7/20 0.33
SLC6A4 P31645 6/20 0.33
PGR P06401 2/20 0.33
CREBBP Q92793 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
HSD11B1 P28845 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL4555633 0.92 PGR (0.38) NR3C1PGRHTR2C
SCHEMBL4866562 0.88 HSP90AA1 (0.34) NR3C1PGRHSP90AA1
SCHEMBL4564249 0.88 NR3C1 (0.31) NR3C1PGR
SCHEMBL4566271 0.88 NR3C1 (0.40) NR3C1HTR1APGRHTR2A
SCHEMBL4811158 0.88 HTR6 (0.34) NR3C1PGRHTR2CHTR2B
SCHEMBL4556232 0.87 CYP19A1 (0.34) HTR1ACREBBPHTR2AHTR2CPKM
SCHEMBL4865539 0.87 CYP19A1 (0.34) HTR1ACREBBPHTR2AHTR2CPKM
SCHEMBL4608633 0.87 HSD11B1 (0.33) NR3C1HSP90AA1HSD11B1
SCHEMBL4864081 0.87 HSD11B1 (0.33) NR3C1HSP90AA1HSD11B1
SCHEMBL4864334 0.87 ADRA1D (0.35) NR3C1PGRHTR2B

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 NR3C1 1692/4885HTR1A 2598/4885SLC6A4 1214/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP NR3C1 1692/4885HTR1A 2598/4885SLC6A4 1214/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP NR3C1 1692/4885HTR1A 2598/4885SLC6A4 1214/4885

“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.