SCHEMBL3552820

SCHEMBL3552820

CC1(C)CC(C)(C)c2cc(CBr)ccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
CYP26B1 Q9NR63 8/20 0.40
CYP26A1 O43174 7/20 0.40
RARA P10276 2/20 0.36
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
PPARG P37231 3/20 0.33
CYP3A4 P08684 1/20 0.32
TRPA1 O75762 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL1616186 0.88 RXRA (0.53) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL27551374 0.85 CYP26B1 (0.41) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL14286050 0.80 RXRA (0.41) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL11209716 0.80 RXRA (0.41) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL11245647 0.77 RARA (0.46) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL11245625 0.76 RXRA (0.49) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL7947551 0.76 RXRA (0.46) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL13318274 0.75 RXRA (0.42) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL2238564 0.75 RXRA (0.42) RXRARXRBRXRGCYP26B1CYP26A1
SCHEMBL6144438 0.74 CYP26A1 (0.58) RXRARXRBRXRGCYP26B1CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
EP-2061760-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2009-05-27 EP disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 WO disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 WO disclosed
EP-1599487-B1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2007-07-11 EP disclosed
EP-1280757-B1 NEW GAMMA SELECTIVE RETINOIDS HOFFMANN LA ROCHE (CH) 2005-08-17 EP disclosed
WO-2004048394-A1 PHOSPHINIC ACID ANALOGS OF GLUTAMATE GIVAUDAN SA (CH) 2004-06-10 WO disclosed
US-6603012-B2 RAR selective retinoid agonists HOFFMANN-LA ROCHE INC. 2003-08-05 US disclosed
EP-1280757-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP disclosed
US-20020026060-A1 RAR selective retinoid agonists F.HOFFMANN-LA ROCHE AG (CH) 2002-02-28 US disclosed
WO-2001083438-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 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-20020026060-A1 RAR selective retinoid agonists RARA, RARG, RARB RXRA 4/4885RXRB 6/4885RXRG 5/4885
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 RXRA 311/4885RXRB 329/4885RXRG 222/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC RXRA 150/4885RXRB 211/4885RXRG 131/4885

“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.