SCHEMBL9973057

SCHEMBL9973057

CCCC(C)C1CCC(c2ccc(C(=O)Nc3ccc(C)c(C(F)(F)F)c3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC3 O15379 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
XBP1 P17861 1/20 0.41
ADCY8 P40145 1/20 0.41
ADCY1 Q08828 1/20 0.41
KIT P10721 1/20 0.41
BRAF P15056 2/20 0.40
RAF1 P04049 1/20 0.40
UBE2M P61081 1/20 0.40

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
SCHEMBL9973104 0.87 HDAC3 (0.51) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL9973043 0.85 NPC1 (0.46) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL16744189 0.84 HDAC3 (0.51) MAPTNPSR1MEN1NPC1HTT
SCHEMBL21117275 0.83 MAPT (0.49) MAPTNPSR1MEN1NPC1HTT
SCHEMBL15214835 0.82 HDAC3 (0.58) MAPTNPSR1MEN1NPC1HTT
SCHEMBL9973153 0.82 HDAC3 (0.48) MAPTNPC1RAB9AKMT2AHDAC3
SCHEMBL8771632 0.81 MAPT (0.47) MAPTNPSR1MEN1NPC1HTT
SCHEMBL9973056 0.80 HDAC3 (0.52) MAPTNPC1RAB9AHDAC3HDAC11
SCHEMBL12581588 0.77 MAPT (0.48) MAPTNPSR1MEN1NPC1HTT
SCHEMBL13536568 0.74 RAB9A (0.64) MAPTMEN1NPC1HTTRAB9A

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
WO-2012082383-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20110279883-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2011-11-17 US disclosed
US-20110143141-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-16 US 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-20110143141-A1 Photochromic compounds and compositions CCNA1, CRY1, CCNT1 MAPT 785/4885NPSR1 4217/4885MEN1 437/4885

“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.