SCHEMBL6236790

SCHEMBL6236790

CC1(C)CCC(=O)c2ccc(C3(C)OCCO3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 4/20 0.39
RXRA P19793 4/20 0.39
CYP26B1 Q9NR63 3/20 0.39
RXRB P28702 3/20 0.39
CYP3A4 P08684 1/20 0.36
RXRG P48443 1/20 0.35
PGR P06401 4/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
GAA P10253 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
SCHEMBL6237171 0.88 RXRA (0.39) CYP26A1RXRACYP26B1RXRBCYP3A4
SCHEMBL5648628 0.74 PGR (0.49) CYP3A4PGRTSHRALDH1A1SMN1; SMN2
SCHEMBL13613855 0.74 PGR (0.37) RXRAPGRALDH1A1LMNAMAPT
SCHEMBL24055007 0.73 PGR (0.50) PGR
SCHEMBL1806400 0.73 PBRM1 (0.49) CYP3A4ALDH1A1LMNAMAPTESR1
SCHEMBL3893981 0.73 MALT1 (0.41) PGRESR1ESR2L3MBTL1
SCHEMBL15717088 0.73 MALT1 (0.41) PGRMAPT
SCHEMBL6235613 0.73 NPC1 (0.49) CYP26A1RXRACYP26B1RXRBCYP3A4
SCHEMBL8564703 0.72 PGR (0.34) CYP3A4PGRALDH1A1MAPTMEN1
SCHEMBL8648418 0.71 HPGD (0.43) RXRARXRBCYP3A4RXRGPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6942980-B1 Methods of identifying compounds having nuclear receptor negative hormone and/or antagonist activities ALLERGAN, INC. (US) 2005-09-13 US disclosed
EP-1535919-A2 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities Allergan, Inc. (US) 2005-06-01 EP disclosed
US-6855832-B2 O- or S-substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. (US) 2005-02-15 US disclosed
US-6818775-B2 TREATMENT OF SKIN-RELATED DISEASES OR PREVENTION OF CERTAIN UNDESIRED SIDE EFFECTS OF ADMINISTERED RETINOIDS ALLERGAN, INC. 2004-11-16 US disclosed
US-20040127469-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity JOHNSON ALAN T (US) 2004-07-01 US disclosed
EP-0915825-B1 SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY ALLERGAN INC (US) 2004-05-06 EP disclosed
EP-1042313-B1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY ALLERGAN INC (US) 2004-04-28 EP disclosed
US-6720425-B2 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN, INC. 2004-04-13 US disclosed
US-20030219832-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities KLEIN ELLIOTT S (US) 2003-11-27 US disclosed
US-6653483-B1 Skin, neurodegenerative and cardiovascular disorders; anticarcinogenic, antiinflammatory, and antiproliferative agents ALLERGAN, INC. 2003-11-25 US disclosed
EP-0853610-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES Allergan (US) 1998-07-22 EP disclosed
US-5776699-A MEASURING GENE EXPRESSION ALLERGAN, INC. (US) 1998-07-07 US disclosed
US-5773594-A TREATING SKIN DISORDERS, REDUCING SIDE EFFECTS OF OTHER RETINOIDS ALLERGAN (US) 1998-06-30 US disclosed
US-5763635-A Tetrahydronaphthalene derivatives substituted in the 8 position with alkyhidene groups having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-06-09 US disclosed
US-5747542-A SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN (US) 1998-05-05 US disclosed
US-5741896-A O- or S- substituted tetrahydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity ALLERGAN (US) 1998-04-21 US disclosed
US-5723666-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION ALLERGAN (US) 1998-03-03 US disclosed
WO-1997048672-A2 SUBSTITUTED TETRAHYDRONAPHTHALENE AND DIHYDRONAPHTHALENE DERIVATIVES HAVING RETINOID AND/OR RETINOID ANTAGONIST-LIKE BIOLOGICAL ACTIVITY ALLERGAN SALES, INC. (US) 1997-12-24 WO disclosed
US-5643869-A Pipecolic acid-containing peptolides, their preparation and pharmaceutical compositions containing them SANDOZ LTD. (CH) 1997-07-01 US disclosed
WO-1997009297-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES VISION PHARMACEUTICALS L.P. (US) 1997-03-13 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 (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-20030219832-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities RXRA, RARA, RXRG CYP26A1 53/4885RXRA 1/4885CYP26B1 98/4885
US-20040127469-A1 Alkyl or aryl substituted dihydronaphthalene derivatives having retinoid and/or retinoid antagonist-like biological activity RARB, RARA, RXRB CYP26A1 69/4885RXRA 4/4885CYP26B1 53/4885

“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.