SCHEMBL4516928

SCHEMBL4516928

CCOC(=O)C1=C(C)CC(C)(C)c2cc(C#Cc3ccc(CC(=O)OC)cc3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.39
RARG P13631 8/20 0.39
RARA P10276 7/20 0.39
CYP3A4 P08684 2/20 0.39
KMT2A Q03164 1/20 0.39
ACACB O00763 2/20 0.37
FDFT1 P37268 1/20 0.37
TNF P01375 1/20 0.35
PDK2 Q15119 1/20 0.34
CYP26A1 O43174 1/20 0.33
CRABP2 P29373 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4510053 0.90 FFAR1 (0.40) RARBRARGRARACYP3A4KMT2A
SCHEMBL4527310 0.87 RARA (0.37) RARBRARGRARACYP3A4KMT2A
SCHEMBL4523905 0.81 GABRA1 (0.44) RARBRARGRARACYP3A4KMT2A
SCHEMBL4513828 0.80 GABRG2 (0.38) RARBRARGRARACYP3A4KMT2A
SCHEMBL4507831 0.79 RARA (0.38) RARBRARGRARACYP3A4KMT2A
SCHEMBL13613950 0.77 RXRA (0.47) RARBRARGRARAPDK2CYP26A1
SCHEMBL4508439 0.74 RARA (0.41) RARBRARGRARACYP3A4KMT2A
SCHEMBL4507783 0.70 RARA (0.37) RARBRARGRARACYP3A4KMT2A
SCHEMBL9182226 0.69 RARA (0.43) RARBRARGRARACYP3A4KMT2A
SCHEMBL5737516 0.69 ACACB (0.38) RARBRARGRARACYP3A4ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 US disclosed
US-7468391-B2 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2008-12-23 US disclosed
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2008-01-03 US disclosed
US-7226951-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2007-06-05 US disclosed
EP-1696899-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2006-09-06 EP disclosed
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2005-08-25 US disclosed
US-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. 2005-08-11 US disclosed
WO-2005058301-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2005-06-30 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-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 RARB 595/4885RARG 546/4885RARA 528/4885
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 RARB 11/4885RARG 19/4885RARA 14/4885
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 RARB 595/4885RARG 546/4885RARA 528/4885

“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.