SCHEMBL9973048

SCHEMBL9973048

CCCC(C)C1CCC(C2CCC(C(=O)Oc3ccc(N4CCN(C)CC4)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HDAC3 O15379 6/20 0.38
HDAC8 Q9BY41 6/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
ABL1 P00519 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL9973053 0.91 MAPT (0.40) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL12127084 0.89 MAPT (0.38) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL15214836 0.81 SMN1; SMN2 (0.48) MAPTKMT2AMEN1GAANPSR1
SCHEMBL16744174 0.81 GAA (0.45) KMT2AMEN1GAANPSR1NPC1
SCHEMBL12125160 0.80 MAPT (0.44) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL9973052 0.76 ELANE (0.40) MAPTHPGDHSD17B10KMT2AMEN1
SCHEMBL15214806 0.73 THRB (0.50) MAPTKMT2AMEN1GAANPSR1
SCHEMBL14207657 0.72 ACACB (0.41) MAPTTSHRKMT2AGAAL3MBTL1
SCHEMBL20805876 0.72 MAPT (0.42) MAPTHPGDTSHRTAAR1HSD17B10
SCHEMBL12125162 0.72 FAAH (0.45) KMT2AMEN1GAANPSR1NPC1

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 785/4885HPGD 2025/4885TSHR 3723/4885

“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.