SCHEMBL4709673

SCHEMBL4709673

CC1(C)CCC(C)(C)c2cc(Cn3cccn3)c(CCO)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
BRD4 O60885 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
RXRA P19793 5/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
LMNA P02545 2/20 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
SCHEMBL4760926 0.83 KMT2A (0.40) MEN1KMT2AALDH1A1HTTTSHR
SCHEMBL4760449 0.82 HTT (0.41) MEN1KMT2AALDH1A1HTTTSHR
SCHEMBL4709265 0.81 BRD4 (0.37) MEN1KMT2AALDH1A1HTTTSHR
SCHEMBL22163720 0.80 RXRA (0.50) HTTRARARARBRARGRXRA
SCHEMBL4711568 0.78 MEN1 (0.35) MEN1KMT2AALDH1A1HTTTSHR
SCHEMBL4709702 0.78 HTT (0.36) MEN1KMT2AALDH1A1HTTTSHR
SCHEMBL14159946 0.77 CYP26A1 (0.47) HTTRARARARBRARGRXRA
SCHEMBL14159944 0.76 CYP3A4 (0.48) MEN1KMT2AHTTL3MBTL1HDAC1
SCHEMBL4710162 0.75 HTT (0.43) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL4710160 0.73 AGTR1 (0.42) MEN1KMT2AALDH1A1HTTRXRA

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 MEN1 3005/4885KMT2A 3192/4885ALDH1A1 1763/4885

“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.