SCHEMBL16998655

SCHEMBL16998655

CC1(C)CCCC(C)(C)c2cc(-c3cc(-c4ccccc4)ccn3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.49
RARA P10276 12/20 0.49
RARG P13631 11/20 0.49
RXRA P19793 3/20 0.42
SMO Q99835 2/20 0.38
ASIC3 Q9UHC3 1/20 0.37
PDE7A Q13946 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36

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
SCHEMBL16998862 0.94 RARB (0.55) RARBRARARARGRXRASMO
SCHEMBL20627746 0.89 RARB (0.45) RARBRARARARGRXRASMO
SCHEMBL18961191 0.87 RARA (0.47) RARBRARARARGRXRAABCB1
SCHEMBL8514830 0.82 RARA (0.40) RARBRARARARGRXRA
SCHEMBL4965729 0.80 RARB (0.69) RARBRARARARGRXRAABCB1
SCHEMBL8512658 0.80 RARA (0.44) RARBRARARARGRXRAABCB1
SCHEMBL15614873 0.78 ASIC3 (0.40) RARBRARARARGSMOASIC3
SCHEMBL8513486 0.78 RARB (0.45) RARBRARARARGRXRAABCB1
SCHEMBL16998412 0.77 RARG (0.45) RARBRARARARGRXRA
SCHEMBL8513591 0.77 RARA (0.38) RARBRARARARGRXRAABCB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170170413-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-06-15 US disclosed
US-20170170413-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-06-15 US disclosed
WO-2015117718-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2015-08-13 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-20170170413-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 RARB 3717/4885RARA 3284/4885RARG 3452/4885

“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.