SCHEMBL4712702

SCHEMBL4712702

CCOC(=O)c1ccc(/C=C/c2cc3c(cc2C)C(C)(C)C(OC(C)=O)CC3(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.50
RARB P10826 7/20 0.50
RARG P13631 4/20 0.50
PPARG P37231 1/20 0.35
RXRA P19793 3/20 0.34
RXRG P48443 3/20 0.34
RXRB P28702 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ESR1 P03372 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
ESR2 Q92731 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4710151 0.89 RARA (0.38) RARARARBRARGPPARGRXRA
SCHEMBL14159923 0.87 RARA (0.55) RARARARBRARGPPARGRXRA
SCHEMBL14159950 0.83 RARA (0.34) RARARARBRARGALDH1A1
SCHEMBL4709684 0.83 RARA (0.34) RARARARBRARGPPARGMEN1
SCHEMBL10846840 0.83 RARA (0.72) RARARARBRARGPPARGRXRA
SCHEMBL10846838 0.83 RARA (0.72) RARARARBRARGPPARGRXRA
SCHEMBL4712704 0.81 RARG (0.46) RARARARBRARGRXRARXRG
SCHEMBL4712700 0.81 RARG (0.46) RARARARBRARGRXRARXRG
SCHEMBL14159834 0.80 RARB (0.39) RARARARBRARGMEN1ALDH1A1
SCHEMBL14159833 0.80 KDM1A (0.44) RARARARBRARGRXRAMEN1

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-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 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.