SCHEMBL9898232

SCHEMBL9898232

CCCCC(CC)CC1(CC(CC)CCCC)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDK2 Q15119 5/20 0.39
ALDH1A1 P00352 2/20 0.34
CA2 P00918 1/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PTPRC P08575 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL679081 0.93 ALDH1A1 (0.33) MEN1KMT2AMAPTL3MBTL1PDK2
SCHEMBL29539705 0.93 ALDH1A1 (0.33) MEN1KMT2AMAPTL3MBTL1PDK2
SCHEMBL29377775 0.88 L3MBTL1 (0.46) MEN1KMT2AMAPTL3MBTL1PDK2
SCHEMBL3721035 0.88 L3MBTL1 (0.46) MEN1KMT2AMAPTL3MBTL1PDK2
SCHEMBL10021911 0.87 MAPT (0.32) MEN1KMT2AMAPTL3MBTL1
SCHEMBL2135089 0.86
SCHEMBL13957190 0.86
SCHEMBL6018281 0.86 ALDH1A1 (0.36) PDK2ALDH1A1
SCHEMBL2135063 0.86 MEN1 (0.33) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL13228978 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708529-B2 Bulk polymer composites THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-18 US disclosed
US-20150349262-A1 Charge Transporting Semi-Conducting Material and Semi-Conducting Device NOVALED GMBH (DE) 2015-12-03 US disclosed
US-20150349262-A1 Charge Transporting Semi-Conducting Material and Semi-Conducting Device NOVALED GMBH (DE) 2015-12-03 US disclosed
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
US-20140346400-A1 BULK POLYMER COMPOSITES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-27 US disclosed
WO-2013090610-A1 BULK POLYMER COMPOSITES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-20 WO disclosed
WO-2013086248-A1 PHOTOCHROMIC MATERIALS THAT INCLUDE INDENO-FUSED NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 2013-06-13 WO disclosed
US-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans TRANSITIONS OPTICAL INC. (US) 2012-06-14 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-20120145973-A1 Photochromic Materials That Include Indeno-Fused Naphthopyrans NQO1, INTS6, IPO4 MEN1 4483/4885KMT2A 1529/4885MAPT 2224/4885

“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.