SCHEMBL5736859

SCHEMBL5736859

CC(C)(C)OC(=O)Cc1ccc(OC(=O)c2ccc3c(c2)C(C)(C)CC(C)(C)O3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.38
CYP26A1 O43174 3/20 0.37
CYP26B1 Q9NR63 3/20 0.37
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
HIF1A Q16665 5/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
RIPK1 Q13546 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
GSTP1 P09211 1/20 0.33
SLC22A2 O15244 1/20 0.33
TMPRSS2 O15393 1/20 0.33
F2 P00734 1/20 0.33
HPN P05981 1/20 0.33
KLK1 P06870 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
CTSL P07711 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL5736766 0.87 CYP26B1 (0.48) SSTR5CYP26A1CYP26B1RARARARB
SCHEMBL4849266 0.82 CYP26A1 (0.40) CYP26A1CYP26B1RARARARBHIF1A
SCHEMBL9850145 0.81 SSTR5 (0.46) SSTR5CYP26A1CYP26B1RARARARB
SCHEMBL9850207 0.80 RARB (0.47) CYP26A1RARARARBHIF1AKMT2A
SCHEMBL8458446 0.79 RARA (0.57) RARARARBHIF1AKMT2AMEN1
SCHEMBL9850151 0.78 MAPT (0.48) RARARARBHIF1AKMT2AMEN1
SCHEMBL9850206 0.77 HIF1A (0.49) RARARARBHIF1AKMT2A
SCHEMBL5736077 0.77 RARA (0.41) CYP26A1CYP26B1RARARARBKMT2A
SCHEMBL4516578 0.73 CA12 (0.46) SSTR5RARARARBKMT2AMEN1
SCHEMBL8759232 0.72 RARB (0.47) CYP26A1CYP26B1RARARARBHIF1A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1366036-B1 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN INC (US) 2006-01-11 EP disclosed
US-6855512-B2 Methods for identifying inhibitors of cytochrome P450RAI ALLERGAN, INC. (US) 2005-02-15 US disclosed
US-6713647-B2 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2004-03-30 US disclosed
EP-1366036-A2 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI Allergan, Inc. (US) 2003-12-03 EP disclosed
US-20030186947-A1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2003-10-02 US disclosed
US-6603019-B2 Phenylacetic or heteroarylacetic acid derivatives, retinoic acid inducible enzyme, used to treat diseases responsive to retinoids ALLERGAN, INC. 2003-08-05 US disclosed
EP-1322631-A2 METHODS OF PROVIDING AND USING COMPOUNDS ( RETINOIDS ) HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI Allergan, Inc. (US) 2003-07-02 EP disclosed
US-20030078270-A1 Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2003-04-24 US disclosed
US-6531599-B2 RAI=retinoic acid inducible; for example, 4-((8-cyclopropyl-3,4-dihydro-4,4-dimethylspiro(2H-1-benzopyran-2,1' -cyclopropane)-6-yl) ethynyl)-2-fluoro-benzoic acid; use treating diseases responsive to retinoids ALLERGAN SALES, INC. 2003-03-11 US disclosed
US-20020193578-A1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN, INC. 2002-12-19 US disclosed
US-6380256-B1 FOR THERAPY OF DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2002-04-30 US disclosed
US-6369225-B1 ENZYME INHIBITORS ALLERGAN SALES, INC. 2002-04-09 US disclosed
US-6369261-B1 CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS ALLERGAN SALES, INC. 2002-04-09 US disclosed
WO-2002026727-A2 METHODS OF PROVIDING AND USING COMPOUNDS (RETINOIDS) HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-04-04 WO disclosed
US-6359135-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2002-03-19 US disclosed
WO-2002018361-A2 COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF CYTOCHROME P450RAI ALLERGAN, INC. (US) 2002-03-07 WO disclosed
US-6313107-B1 ADMINISTERING TO MAMMAL TO TREAT DISEASES RESPONSIVE TO TREATMENT BY RETINOIDS ALLERGAN SALES, INC. 2001-11-06 US disclosed
US-6303785-B1 SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES ALLERGAN SALES, INC. 2001-10-16 US disclosed
US-6291677-B1 FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES AND KERATINIZATION AND HYPERPROLIFERATIVE DISORDERS OF SKIN ALLERGAN SALES, INC. 2001-09-18 US disclosed
US-6252090-B1 Compounds having activity as inhibitors of cytochrome P450RAI ALLERGAN SALES, INC. 2001-06-26 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-20030078270-A1 Methods of providing and using compounds having activity as inhibitors of cytochrome P450RAI CYP26B1, CYP21A2, ALDH1A2 SSTR5 4140/4885CYP26A1 4/4885CYP26B1 1/4885
US-20030186947-A1 Compounds having activity as inhibitors of cytochrome P450RAI RARA, RARB, RARG SSTR5 4136/4885CYP26A1 6/4885CYP26B1 5/4885
US-20020193578-A1 Compounds having activity as inhibitors of cytochrome P450RAI RARA, RARB, RARG SSTR5 4282/4885CYP26A1 4/4885CYP26B1 5/4885

“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.