SCHEMBL4842346

SCHEMBL4842346

C#Cc1cc(C(=O)Oc2ccc(CC(=O)OCC)cc2)cc2c1OC(C)(C)CC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.40
CYP26B1 Q9NR63 2/20 0.40
LIPE Q05469 1/20 0.38
RARA P10276 3/20 0.38
RARB P10826 3/20 0.38
F2 P00734 2/20 0.34
KLK1 P06870 2/20 0.34
PRSS1 P07477 2/20 0.34
SLC22A2 O15244 1/20 0.34
TMPRSS2 O15393 1/20 0.34
HPN P05981 1/20 0.34
PRSS2 P07478 1/20 0.34
CTSL P07711 1/20 0.34
CNR1 P21554 1/20 0.34
PRSS3 P35030 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRD1 P41143 1/20 0.34
HGFAC Q04756 1/20 0.34
KCNH2 Q12809 1/20 0.34
SLC47A2 Q86VL8 1/20 0.34

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
SCHEMBL14223665 0.92 CYP26A1 (0.39) CYP26A1CYP26B1RARARARBPRSS1
SCHEMBL4849413 0.91 CYP26A1 (0.39) CYP26A1CYP26B1RARARARBF2
SCHEMBL14194533 0.90 CYP26A1 (0.40) CYP26A1CYP26B1RARARARBMAPT
SCHEMBL4842011 0.89 CYP26A1 (0.51) CYP26A1CYP26B1RARARARBKLK1
SCHEMBL4849266 0.89 CYP26A1 (0.40) CYP26A1CYP26B1RARARARB
SCHEMBL14223846 0.80 CYP26A1 (0.33) CYP26A1CYP26B1
SCHEMBL14194534 0.80 CYP26A1 (0.35) CYP26A1CYP26B1RARARARBALDH1A1
SCHEMBL4845515 0.79 CYP26A1 (0.33) CYP26A1CYP26B1
SCHEMBL4846276 0.78 CYP26A1 (0.41) CYP26A1CYP26B1
SCHEMBL4849415 0.77 CYP26A1 (0.30) CYP26A1CYP26B1RARARARB

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-7351737-B2 4-[(8-substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-YL-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. (US) 2008-04-01 US disclosed
US-7351737-B2 4-[(8-substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-YL-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. (US) 2008-04-01 US disclosed
US-7351737-B2 4-[(8-substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-YL-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. (US) 2008-04-01 US disclosed
US-6740676-B2 TREATING DISEASES CONTROLLED BY OR RESPONSIVE TO RETINOIC ACID ALLERGAN, INC. 2004-05-25 US disclosed
US-20040077721-A1 Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A ALLERGAN, INC. 2004-04-22 US disclosed
US-20030207937-A1 4-[(8-Substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-yl-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. 2003-11-06 US disclosed
US-20030191181-A1 4-[(8-Ethynyl, 8-vinyl or 8-ethynyl-methyl)-6-chromanoyl]-benzoic and 2-[4-[(8-ethynyl, 8-vinyl or 8-ethynyl-methyl)-6-chromanoyl]-phenyl]-acetic acid, their esters and salts having cytochrome P450RAI inhibitory activity ALLERGAN, INC. 2003-10-09 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-20030191181-A1 4-[(8-Ethynyl, 8-vinyl or 8-ethynyl-methyl)-6-chromanoyl]-benzoic and 2-[4-[(8-ethynyl, 8-vinyl or 8-ethynyl-methyl)-6-chromanoyl]-phenyl]-acetic acid, their esters and salts having cytochrome P450RAI inhibitory activity RXRA, RARA, CYP26A1 CYP26A1 3/4885CYP26B1 6/4885LIPE 2135/4885
US-20040077721-A1 Compositions and methods using compounds having cytochrome P450RAI inhibitory activity co-administered with vitamin A RARA, CYP2R1, RXRA CYP26A1 5/4885CYP26B1 8/4885LIPE 2388/4885
US-20030207937-A1 4-[(8-Substituted)-6-chromanoyl]-and 4-[8-substituted)-chroman-6-yl-ethynyl]-benzoic and phenylacetic acids, their esters and salts having cytochrome P450RAI inhibitory activity RXRA, RARA, CYP26A1 CYP26A1 3/4885CYP26B1 7/4885LIPE 2144/4885

“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.