SCHEMBL4668411

SCHEMBL4668411

CC1(C)CCC(C)(C)c2cc(CCCO)ccc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP26B1 Q9NR63 8/20 0.52
CYP26A1 O43174 7/20 0.52
RXRA P19793 5/20 0.51
RXRB P28702 3/20 0.51
RXRG P48443 3/20 0.51
RARA P10276 5/20 0.44
RARB P10826 5/20 0.44
RARG P13631 5/20 0.44
CYP3A4 P08684 1/20 0.43
PPARG P37231 1/20 0.42

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
SCHEMBL4365965 0.89 CYP26B1 (0.55) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL6909472 0.84 CYP26B1 (0.50) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL7142134 0.83 CYP26B1 (0.49) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL2095481 0.82 RXRA (0.57) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL7143302 0.81 CYP26A1 (0.48) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL7144931 0.81 CYP26B1 (0.58) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL9586582 0.81 CYP26B1 (0.70) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL8809582 0.81 CYP26B1 (0.48) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL2897524 0.80 CYP26B1 (0.53) CYP26B1CYP26A1RXRARXRBRXRG
SCHEMBL8811030 0.80 CYP26B1 (0.68) CYP26B1CYP26A1RXRARXRBRXRG

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324970-B1 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1324970-B1 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1935869-A1 Retinoids for the treatment of emphysema F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
EP-1935869-A1 Retinoids for the treatment of emphysema F. HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
US-6777418-B2 FOR TREATING OR PREVENTING EMPHYSEMA, CANCER AND DERMATOLOGICAL DISORDERS SYNTEX (U.S.A.) LLC 2004-08-17 US disclosed
EP-1324970-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP disclosed
US-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders SYNTEX (U.S.A.) LLC 2002-06-27 US disclosed
WO-2002028810-A2 RETINOIDS FOR THE TREATMENT OF EMPHYSEMA F. HOFFMANN-LA ROCHE AG (CH) 2002-04-11 WO disclosed
EP-0848696-A1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1998-06-24 EP disclosed
WO-1996039374-A1 2,4-PENTADIENOIC ACID DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-12-12 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-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders RXRA, RXRG, RXRB CYP26B1 481/4885CYP26A1 580/4885RXRA 1/4885

“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.