SCHEMBL9898757

SCHEMBL9898757

CCCCC(CC)CC1(CC(CC)CCCC)c2ccccc2-c2ccc(B3OC(C)(C)C(C)(C)O3)cc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPL P06858 8/20 0.41
LIPG Q9Y5X9 8/20 0.41
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
BACE1 P56817 1/20 0.30
CA2 P00918 1/20 0.30
ROCK1 Q13464 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL29838836 0.94 LPL (0.43) LPLLIPGMEN1MAPTKMT2A
SCHEMBL793279 0.94 LPL (0.43) LPLLIPGMEN1MAPTKMT2A
SCHEMBL13867264 0.88 LPL (0.40) LPLLIPG
SCHEMBL2135982 0.88 LPL (0.37) LPLLIPGMEN1MAPTKMT2A
SCHEMBL5095856 0.83 LIPG (0.47) LPLLIPGPRMT5WDR77ROCK1
SCHEMBL24739581 0.81 LPL (0.35) LPLLIPG
SCHEMBL3721035 0.81 L3MBTL1 (0.46) MEN1MAPTKMT2AL3MBTL1CA2
SCHEMBL29377775 0.81 L3MBTL1 (0.46) MEN1MAPTKMT2AL3MBTL1CA2
SCHEMBL5095697 0.81 LPL (0.48) LPLLIPGMEN1KMT2AL3MBTL1
SCHEMBL679083 0.81 MEN1 (0.31) MEN1MAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190296242-A1 POLYMERS WITH ASYMMETRIC REPEATING UNITS MERCK PATENT GMBH (DE) 2019-09-26 US disclosed
WO-2018099847-A1 POLYMERS WITH ASYMMETRIC REPEATING UNITS MERCK PATENT GMBH (DE) 2018-06-07 WO disclosed
US-9708529-B2 Bulk polymer composites THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-07-18 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
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 LPL 3880/4885LIPG 2791/4885MEN1 4483/4885

“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.