SCHEMBL6472471

SCHEMBL6472471

COc1cccc(COc2cc3c(cc2-c2cc(/C=C/C(=O)O)ccc2OC)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.57
CA2 P00918 2/20 0.51
CA5A P35218 2/20 0.51
CA9 Q16790 2/20 0.51
RXRA P19793 1/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
AKR1C2 P52895 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
APP P05067 5/20 0.45
RECQL P46063 1/20 0.45
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL6472474 1.00 AKR1C3 (0.57) AKR1C3CA2CA5ACA9RXRA
SCHEMBL6476140 0.93 AKR1C3 (0.50) AKR1C3CA2CA5ACA9RXRA
SCHEMBL6476139 0.93 AKR1C3 (0.50) AKR1C3CA2CA5ACA9RXRA
SCHEMBL6473692 0.93 RXRA (0.58) AKR1C3CA2CA5ACA9RXRA
SCHEMBL6473686 0.93 RXRA (0.58) AKR1C3CA2CA5ACA9RXRA
SCHEMBL6472794 0.92 AKR1C3 (0.52) AKR1C3CA2CA5ACA9RXRA
SCHEMBL6472796 0.92 AKR1C3 (0.52) AKR1C3CA2CA5ACA9RXRA
SCHEMBL6473731 0.92 CA2 (0.51) AKR1C3CA2CA5ACA9RXRA
SCHEMBL6473733 0.92 CA2 (0.51) AKR1C3CA2CA5ACA9RXRA
SCHEMBL6477087 0.92 KDM4E (0.56) AKR1C3RXRAKDM4ELMNAALDH1A1

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-6924388-B2 Bicyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-02 US claimed
EP-0947496-B1 Bicyclic aromatic compounds and their use in human and veterinary medicine as well as in cosmetology GALDERMA RES & DEV (FR) 2002-10-09 EP claimed
US-6924388-B2 Bicyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-08-02 US disclosed
US-20040092594-A1 Bicyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-05-13 US disclosed
US-6632963-B1 Are useful for the treatment of a wide variety of disease states, whether human or veterinary, for example dermatological, rheumatic, respiratory, cardiovascular and ophthalmological disorders, as well as for the treatment of GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2003-10-14 US disclosed
EP-0947496-B1 Bicyclic aromatic compounds and their use in human and veterinary medicine as well as in cosmetology GALDERMA RES & DEV (FR) 2002-10-09 EP disclosed
EP-0947496-A1 Bicyclic aromatic compounds and their use in human and veterinary medicine as well as in cosmetology Galderma Research & Development, S.N.C. (FR) 1999-10-06 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-20040092594-A1 Bicyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof AHR, TYR, MC1R AKR1C3 225/4885CA2 2147/4885CA5A 469/4885

“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.