SCHEMBL5736077

SCHEMBL5736077

CC(C)(C)OC(=O)Cc1ccc(OC(=O)c2ccc3c(c2)C(C)(C)CCC3=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.41
RARB P10826 4/20 0.41
CYP26B1 Q9NR63 4/20 0.36
CYP26A1 O43174 3/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CYP3A4 P08684 2/20 0.34
RXRA P19793 3/20 0.34
RXRB P28702 3/20 0.34
RXRG P48443 3/20 0.34
SRD5A1 P18405 1/20 0.33
RIPK1 Q13546 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
RARG P13631 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

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
SCHEMBL5738253 0.87 CYP26A1 (0.48) RARARARBCYP26B1CYP26A1CYP3A4
SCHEMBL5736859 0.77 SSTR5 (0.38) RARARARBCYP26B1CYP26A1KMT2A
SCHEMBL6235613 0.72 NPC1 (0.49) RARARARBCYP26B1CYP26A1MAPT
SCHEMBL6362862 0.69 MAPT (0.47) RARARARBKMT2AMAPTRXRA
SCHEMBL4849266 0.69 CYP26A1 (0.40) RARARARBCYP26B1CYP26A1
SCHEMBL9551721 0.67 CYP3A4 (0.53) RARARARBCYP26B1CYP26A1CYP3A4
SCHEMBL9551765 0.67 RXRA (0.54) RARARARBCYP26B1CYP26A1CYP3A4
SCHEMBL9551791 0.66 CYP3A4 (0.44) RARARARBCYP26B1CYP26A1CYP3A4
SCHEMBL1808153 0.65 KDM4E (0.49) KMT2AMEN1CYP3A4
SCHEMBL9165893 0.65 RXRA (0.69) RARARARBCYP26B1CYP26A1KMT2A

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 RARA 11/4885RARB 14/4885CYP26B1 1/4885
US-20030186947-A1 Compounds having activity as inhibitors of cytochrome P450RAI RARA, RARB, RARG RARA 1/4885RARB 2/4885CYP26B1 5/4885
US-20020193578-A1 Compounds having activity as inhibitors of cytochrome P450RAI RARA, RARB, RARG RARA 1/4885RARB 2/4885CYP26B1 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.