SCHEMBL4668161

SCHEMBL4668161

CC1(C)CCC(C)(C)c2cc(/C=C/S(N)(=O)=O)c(C=O)cc21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.35
RARB P10826 2/20 0.35
RARG P13631 2/20 0.35
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP26B1 Q9NR63 1/20 0.32
RXRA P19793 7/20 0.30
RXRB P28702 5/20 0.30
RXRG P48443 4/20 0.30
CYP26A1 O43174 1/20 0.30

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
SCHEMBL4669326 0.86 RARA (0.36) RARARARBRARGCYP26B1RXRA
SCHEMBL4781418 0.86 RARA (0.36) RARARARBRARGCYP26B1RXRA
SCHEMBL14159837 0.86 RARA (0.30) RARARARBRARG
SCHEMBL4668099 0.83 RXRA (0.37) RARARARBRARGPTGS1PTGS2
SCHEMBL14018628 0.82 RARA (0.34) RARARARBRARGCYP26B1RXRA
SCHEMBL11122818 0.81 RARB (0.41) RARARARBRARGCYP26B1RXRA
SCHEMBL4668140 0.80 PTGS2 (0.45) RARARARBRARGPTGS1PTGS2
SCHEMBL14159883 0.76 RARB (0.68) RARARARBRARGRXRARXRB
SCHEMBL14018552 0.74 RARB (0.52) RARARARBRARGPTGS1PTGS2
SCHEMBL8807547 0.73 RXRA (0.44) RARARARBRARGRXRARXRB

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 5 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-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
US-20020082265-A1 For treating or preventing emphysema, cancer and dermatological disorders SYNTEX (U.S.A.) LLC 2002-06-27 US 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 RARA 5/4885RARB 6/4885RARG 4/4885

“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.