SCHEMBL9973056

SCHEMBL9973056

CCCC(C)C1CCC(c2ccc(-c3ccc(C(=O)Nc4ccc(C)cc4)cc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
P2RY14 Q15391 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
DEGS1 O15121 1/20 0.46
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MAPK14 Q16539 1/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
KDM1B Q8NB78 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43

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
SCHEMBL9973153 0.90 HDAC3 (0.48) HDAC3HDAC11HDAC8HDAC6P2RY14
SCHEMBL9973043 0.89 NPC1 (0.46) HDAC3HDAC11HDAC8HDAC6P2RY14
SCHEMBL9973104 0.86 HDAC3 (0.51) HDAC3HDAC11HDAC8HDAC6NPC1
SCHEMBL20805873 0.81 MAPT (0.55) HDAC3HDAC11HDAC8HDAC6P2RY14
SCHEMBL16021444 0.81 HDAC3 (0.62) HDAC3HDAC11HDAC8HDAC6P2RY14
SCHEMBL16704905 0.81 HDAC3 (0.62) HDAC3HDAC11HDAC8HDAC6P2RY14
SCHEMBL9973040 0.81 SLC6A2 (0.43) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL8771797 0.80 MAPT (0.54) HDAC3HDAC11HDAC8HDAC6P2RY14
SCHEMBL16775458 0.80 MAPT (0.54) HDAC3HDAC11HDAC8HDAC6P2RY14
SCHEMBL8771609 0.80 MAPT (0.54) HDAC3HDAC11HDAC8HDAC6P2RY14

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 HDAC3 2190/4885HDAC11 346/4885HDAC8 2065/4885

“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.