SCHEMBL4710160

SCHEMBL4710160

CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(CCc3ccc(Oc4ccccc4C(=O)O)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.42
AGTR2 P50052 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
LPAR1 Q92633 3/20 0.40
LPAR3 Q9UBY5 1/20 0.40
HTT P42858 1/20 0.39
CYP2C9 P11712 1/20 0.38
CCR8 P51685 1/20 0.38
RXRA P19793 5/20 0.38
P2RX3 P56373 1/20 0.37

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
SCHEMBL4710916 0.92 HTT (0.39) AGTR1AGTR2MEN1ALDH1A1KMT2A
SCHEMBL4710917 0.87 LPAR1 (0.41) MEN1ALDH1A1KMT2ALPAR1HTT
SCHEMBL22163720 0.84 RXRA (0.50) HTTRXRA
SCHEMBL4710162 0.83 HTT (0.43) MEN1ALDH1A1KMT2AHTTCYP2C9
SCHEMBL4760926 0.80 KMT2A (0.40) MEN1ALDH1A1KMT2AHTTCYP2C9
SCHEMBL14159946 0.76 CYP26A1 (0.47) HTTRXRA
SCHEMBL4709673 0.73 MEN1 (0.39) MEN1ALDH1A1KMT2AHTTRXRA
SCHEMBL14159944 0.71 CYP3A4 (0.48) MEN1KMT2AHTTCYP2C9
SCHEMBL14017862 0.69 RXRA (0.46) MEN1KMT2AHTTRXRA
SCHEMBL4711958 0.69 RXRA (0.46) MEN1KMT2AHTTRXRA

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-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 AGTR1 3253/4885AGTR2 2845/4885MEN1 3005/4885

“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.