SCHEMBL1616121

SCHEMBL1616121

CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(I)cc3)ccc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 9/20 0.78
RARA P10276 8/20 0.78
RARB P10826 7/20 0.78
RARG P13631 7/20 0.78
CYP3A4 P08684 3/20 0.78
MEN1 O00255 2/20 0.78
KMT2A Q03164 2/20 0.78
ALDH1A1 P00352 1/20 0.78
CYP1A2 P05177 1/20 0.78
CYP2C9 P11712 1/20 0.78
TSHR P16473 1/20 0.78
MAPK1 P28482 1/20 0.78
CYP2C19 P33261 1/20 0.78
CYP26B1 Q9NR63 6/20 0.69
PGR P06401 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
TBXA2R P21731 1/20 0.65
BLVRB P30043 1/20 0.65
RXRA P19793 5/20 0.50
RXRB P28702 5/20 0.50

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
SCHEMBL8459704 0.87 RARA (0.80) CYP26A1RARARARBRARGCYP3A4
SCHEMBL726740 0.87 RARB (1.00) CYP26A1RARARARBRARGCYP3A4
SCHEMBL29355626 0.87 RARB (1.00) CYP26A1RARARARBRARGCYP3A4
SCHEMBL9446527 0.87 CYP26A1 (0.80) CYP26A1RARARARBRARGCYP3A4
SCHEMBL9446600 0.86 RARA (0.78) CYP26A1RARARARBRARGCYP3A4
SCHEMBL1616078 0.86 CYP26A1 (0.78) CYP26A1RARARARBRARGCYP3A4
SCHEMBL7621355 0.86 RARA (0.82) CYP26A1RARARARBRARGCYP3A4
SCHEMBL1615390 0.85 RARA (0.76) CYP26A1RARARARBRARGCYP3A4
SCHEMBL8461267 0.85 RARA (0.76) CYP26A1RARARARBRARGCYP3A4
SCHEMBL13259701 0.84 RARA (0.74) CYP26A1RARARARBRARGCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 US claimed
US-7923579-B2 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2011-04-12 US disclosed
US-7923579-B2 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2011-04-12 US disclosed
US-7923579-B2 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2011-04-12 US disclosed
EP-1692097-B1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2009-09-02 EP disclosed
EP-1692097-B1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2009-09-02 EP disclosed
US-20070129368-A1 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2007-06-07 US disclosed
US-20070129368-A1 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2007-06-07 US disclosed
US-20070129368-A1 Tricyclic hydroxamate and benzamide derivatives, compositions and methods EXONHIT THERAPEUTICS S.A. (FR) 2007-06-07 US disclosed
EP-1692097-A1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS Exonhit Therapeutics SA (FR) 2006-08-23 EP disclosed
WO-2005058803-A1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2005-06-30 WO disclosed
WO-2005058803-A1 TRICYCLIC HYDROXAMATE AND BENZAMIDE DERIVATIVES, COMPOSITIONS AND METHODS EXONHIT THERAPEUTICS SA (FR) 2005-06-30 WO disclosed
EP-1541549-A1 Tricyclic hydroxamate and benzaminde derivatives, compositions and methods Exonhit Therapeutics S.A. (FR) 2005-06-15 EP disclosed
US-6780883-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTILIPEMIC AGENTS; RESTENOSIS; DIETETICS WARNER-LAMBERT COMPANY 2004-08-24 US disclosed
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 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 (2 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-20070129368-A1 Tricyclic hydroxamate and benzamide derivatives, compositions and methods HDAC5, HDAC1, HDAC2 CYP26A1 1813/4885RARA 1012/4885RARB 998/4885
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein CETP, MTTP, LCAT CYP26A1 334/4885RARA 3915/4885RARB 3853/4885

“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.