SCHEMBL4668151

SCHEMBL4668151

CC1(C)CCC(C)(C)c2cc(C=CS(C)(=O)=O)c(C=Cc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 14/20 0.70
RARG P13631 14/20 0.70
RARA P10276 11/20 0.70
RXRA P19793 13/20 0.51
CYP26A1 O43174 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
GMNN O75496 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
THPO P40225 1/20 0.51
MTOR P42345 1/20 0.51

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
SCHEMBL14017924 1.00 RARB (0.70) RARBRARGRARARXRACYP26A1
SCHEMBL4668148 1.00 RARB (0.70) RARBRARGRARARXRACYP26A1
SCHEMBL14159883 0.89 RARB (0.68) RARBRARGRARARXRACYP26A1
SCHEMBL14017812 0.87 RARB (0.53) RARBRARGRARACYP26A1NPC1
SCHEMBL4669338 0.86 RARG (0.58) RARBRARGRARARXRACYP26A1
SCHEMBL14018613 0.83 RARB (0.60) RARBRARGRARARXRACYP26A1
SCHEMBL156460 0.82 RARB (1.00) RARBRARGRARARXRACYP26A1
SCHEMBL10841477 0.82 RARB (1.00) RARBRARGRARARXRACYP26A1
Hydrochloric Acid SCHEMBL4432609 0.81 RARB (0.97) RARBRARGRARARXRACYP26A1
SCHEMBL1072526 0.81 RARB (0.74) RARBRARGRARARXRACYP26A1

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-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 RARB 6/4885RARG 4/4885RARA 5/4885

“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.