SCHEMBL4666501

SCHEMBL4666501

CC1(C)CCC(C)(C)c2cc(Cc3cccs3)c(C=O)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.37
CYP2C9 P11712 1/20 0.35
HSD11B1 P28845 1/20 0.34
MAPT P10636 1/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
GNRHR P30968 1/20 0.33
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 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
SCHEMBL14017923 0.87 RARA (0.41) RXRACYP2C9MAPTRXRBRXRG
SCHEMBL4667018 0.79 RARB (0.59) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL4667016 0.79 RARB (0.59) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL4668056 0.75 RXRA (0.52) RXRAMAPTRXRBRXRGGNRHR
SCHEMBL5947942 0.75 RXRA (0.44) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL9054943 0.71 RXRA (0.48) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL4669393 0.71 RXRA (0.50) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL11122818 0.71 RARB (0.41) RXRARXRBRXRGCYP26A1CYP26B1
SCHEMBL15274410 0.70 CYP2C9 (0.44) CYP2C9MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11654659 0.70 RXRA (0.37) RXRARXRBRXRGCYP26A1CYP26B1

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 6 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
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 RXRA 1/4885CYP2C9 3250/4885HSD11B1 112/4885

“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.