SCHEMBL6143565

SCHEMBL6143565

CSC1(SC)CCOc2ccc([C@@H](C=O)Cc3ccccc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
CAPN1 P07384 6/20 0.32
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
AKR1B1 P15121 1/20 0.30
MMP9 P14780 1/20 0.30
PLAUR Q03405 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6147589 0.89 TAS1R3 (0.34) SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6143646 0.83 P4HTM (0.39) SMN1; SMN2ALDH1A1HTTAKR1B1KDM4E
SCHEMBL6148053 0.82 RARA (0.44) SMN1; SMN2ALDH1A1HTTRARARARB
SCHEMBL6146166 0.82 RARA (0.44) SMN1; SMN2ALDH1A1HTTRARARARB
SCHEMBL6147976 0.80 UGCG (0.31)
SCHEMBL6145636 0.77 TAS1R3 (0.36) SMN1; SMN2ALDH1A1AKR1B1KDM4ENPC1
SCHEMBL6148235 0.75 RARA (0.43) SMN1; SMN2ALDH1A1RARARARBRARG
SCHEMBL6147365 0.75 RARA (0.43) SMN1; SMN2ALDH1A1RARARARBRARG
SCHEMBL6148846 0.74 RXRA (0.46) RARARARBRARG
SCHEMBL6017429 0.74 CHRM2 (0.35) RARARARBRARGAKR1B1

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-1280757-B1 NEW GAMMA SELECTIVE RETINOIDS HOFFMANN LA ROCHE (CH) 2005-08-17 EP disclosed
US-6603012-B2 RAR selective retinoid agonists HOFFMANN-LA ROCHE INC. 2003-08-05 US disclosed
EP-1280757-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP disclosed
US-20020026060-A1 RAR selective retinoid agonists F.HOFFMANN-LA ROCHE AG (CH) 2002-02-28 US disclosed
WO-2001083438-A2 NEW GAMMA SELECTIVE RETINOIDS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 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-20020026060-A1 RAR selective retinoid agonists RARA, RARG, RARB SMN1; SMN2 3223/4885ALDH1A1 583/4885HTT 4018/4885

“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.