SCHEMBL4666920

SCHEMBL4666920

CC1(C)CCC(C)(C)c2cc(CCCO)c(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.39
RARA P10276 4/20 0.35
RARB P10826 4/20 0.35
RARG P13631 4/20 0.35
CYP26A1 O43174 2/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
CA2 P00918 1/20 0.33
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32

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
SCHEMBL6678267 0.83 RXRA (0.43) RXRARARARARBRARGCYP26A1
SCHEMBL6679708 0.82 RXRA (0.42) RXRA
SCHEMBL14376650 0.77 RXRA (0.46) RXRARARARARBRARGCYP26A1
SCHEMBL3550442 0.77 RXRA (0.41) RXRARARARARBRARGCYP26A1
SCHEMBL4668400 0.75 RXRA (0.35) RXRARARARARBRARGCYP26A1
SCHEMBL6678059 0.73 RXRA (0.49) RXRARARARARBRARGCYP26A1
SCHEMBL4668307 0.73 CYP26A1 (0.32) RXRACYP26A1
SCHEMBL6033311 0.72 RARA (0.46) RXRARARARARBRARGRXRB
SCHEMBL4668411 0.71 CYP26B1 (0.52) RXRARARARARBRARGCYP26A1
SCHEMBL4669400 0.71 RXRA (0.37) RXRARARARARBRARGCYP26A1

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
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

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 RXRA 1/4885RARA 5/4885RARB 6/4885

“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.