SCHEMBL5359740

SCHEMBL5359740

Cc1cc2c(cc1C(=O)O)C(C)(C)CCC2(C)C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.71
RXRB P28702 11/20 0.71
RXRG P48443 11/20 0.71
RARA P10276 3/20 0.71
RARB P10826 3/20 0.71
RARG P13631 3/20 0.71
MEN1 O00255 1/20 0.67
CYP26A1 O43174 1/20 0.67
ABCB11 O95342 1/20 0.67
ESR1 P03372 1/20 0.67
PGR P06401 1/20 0.67
HTR1A P08908 1/20 0.67
ADRA2A P08913 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CHRM1 P11229 1/20 0.67
DRD1 P21728 1/20 0.67
TBXA2R P21731 1/20 0.67
SLC6A2 P23975 1/20 0.67
ADRA1A P35348 1/20 0.67
OPRM1 P35372 1/20 0.67

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
SCHEMBL28646163 0.88 RXRA (0.59) RXRARXRBRXRGRARARARB
SCHEMBL7218238 0.86 RXRA (0.73) RXRARXRBRXRGRARARARB
SCHEMBL3298635 0.85 RXRA (0.61) RXRARXRBRXRGRARARARB
SCHEMBL2591205 0.84 RXRA (0.78) RXRARXRBRXRGRARARARB
SCHEMBL6901726 0.84 RXRA (0.69) RXRARXRBRXRGRARARARB
SCHEMBL30054740 0.83 RXRA (1.00) RXRARXRBRXRGRARARARB
SCHEMBL726140 0.83 RXRA (1.00) RXRARXRBRXRGRARARARB
SCHEMBL16926898 0.83 RXRA (0.83) RXRARXRBRXRGRARARARB
SCHEMBL7872153 0.83 RXRA (0.59) RXRARXRBRXRGRARARARB
SCHEMBL14212719 0.83 RXRA (0.76) RXRARXRBRXRGRARARARB

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-7259187-B2 Tropolone derivatives RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2007-08-21 US disclosed
US-20040082550-A1 Tropolone derivative RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2004-04-29 US disclosed
EP-1357104-A1 TROPOLONE DERIVATIVE Research Foundation Itsuu Laboratory (JP) 2003-10-29 EP disclosed
US-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US disclosed
US-5231113-A Skin disorders, immunology or wound healing agents ALLERGAN, INC. (US) 1993-07-27 US disclosed
EP-0337689-B1 TETRALIN ESTERS OF PHENOLS OR BENZOIC ACIDS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC (US) 1993-03-10 EP disclosed
US-5130335-A Treatment of skin disorders ALLERGAN, INC. (US) 1992-07-14 US disclosed
EP-0337689-A1 Tetralin esters of phenols or benzoic acids having retinoid like activity ALLERGAN, INC (US) 1989-10-18 EP 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 (1 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-20040082550-A1 Tropolone derivative NR5A2, NR0B1, MTNR1A RXRA 10/4885RXRB 18/4885RXRG 20/4885

“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.