SCHEMBL5364757

SCHEMBL5364757

CC1(C)CCC(C)(C)c2cc(/C=C/C(=O)O)ccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 3/20 0.74
RARA P10276 9/20 0.68
RARB P10826 9/20 0.68
RARG P13631 9/20 0.68
CYP26B1 Q9NR63 1/20 0.67
CYP3A4 P08684 2/20 0.66
RXRA P19793 11/20 0.64
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
GMNN O75496 1/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP2D6 P10635 1/20 0.52
NFKB1 P19838 1/20 0.52
CYP2C19 P33261 1/20 0.52
THPO P40225 1/20 0.52

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
SCHEMBL7872156 1.00 CYP26A1 (0.74) CYP26A1RARARARBRARGCYP26B1
SCHEMBL14003301 0.88 CYP26A1 (0.71) CYP26A1RARARARBRARGCYP26B1
Hydrochloric Acid SCHEMBL5368349 0.88 RARA (0.62) CYP26A1RARARARBRARGCYP26B1
SCHEMBL7761650 0.86 CYP26B1 (0.66) CYP26A1RARARARBRARGCYP26B1
SCHEMBL7761649 0.86 CYP26B1 (0.66) CYP26A1RARARARBRARGCYP26B1
SCHEMBL5361346 0.86 RARB (0.62) CYP26A1RARARARBRARGCYP26B1
SCHEMBL7872267 0.86 RARB (0.62) CYP26A1RARARARBRARGCYP26B1
SCHEMBL8461960 0.86 CYP26A1 (1.00) CYP26A1RARARARBRARGCYP26B1
SCHEMBL8461961 0.86 CYP26A1 (1.00) CYP26A1RARARARBRARGCYP26B1
SCHEMBL5684444 0.86 CYP26A1 (0.68) CYP26A1RARARARBRARGCYP26B1

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-7259187-B2 Tropolone derivatives RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2007-08-21 US disclosed
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
EP-0901462-A1 BI-AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND USES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1999-03-17 EP disclosed
WO-1998034909-A1 BI-AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND USES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-08-13 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 (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 CYP26A1 107/4885RARA 41/4885RARB 73/4885

“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.