SCHEMBL9973043

SCHEMBL9973043

CCCC(C)C1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
P2RY14 Q15391 1/20 0.43
DGAT1 O75907 1/20 0.43
MAPK14 Q16539 3/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
FKBP5 Q13451 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
DEGS1 O15121 1/20 0.41
MCHR1 Q99705 1/20 0.41

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 0.96 HDAC3 (0.51) NPC1RAB9AKMT2AHDAC3HDAC11
SCHEMBL9973153 0.95 HDAC3 (0.48) NPC1RAB9AKMT2AHDAC3HDAC11
SCHEMBL9973056 0.89 HDAC3 (0.52) NPC1RAB9AHDAC3HDAC11HDAC8
SCHEMBL9973057 0.85 MAPT (0.44) NPC1RAB9AKMT2AHDAC3HDAC11
SCHEMBL13536568 0.83 RAB9A (0.64) NPC1RAB9AKMT2AHDAC3HDAC11
SCHEMBL16744175 0.82 NPC1 (0.54) NPC1RAB9AKMT2AHDAC3HDAC11
SCHEMBL9973063 0.82 LMNA (0.39) NPC1RAB9AKMT2AMAPK14TP53
SCHEMBL12125151 0.82 ALDH1A1 (0.51) NPC1RAB9AKMT2AHDAC3HDAC11
SCHEMBL15214833 0.81 HDAC8 (0.62) NPC1RAB9AKMT2AHDAC3HDAC11
SCHEMBL9973102 0.81 KMT2A (0.48) NPC1RAB9AKMT2AMAPK14ALDH1A1

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 NPC1 2910/4885RAB9A 1829/4885KMT2A 563/4885

“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.