SCHEMBL4898823

SCHEMBL4898823

Brc1ccc(-c2ccc(OC3CCCCO3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.43
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DHFR P00374 1/20 0.36
ACP1 P24666 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNA7 P36544 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
SCHEMBL5897 0.95 TNK2 (0.40) TNK2HSD11B1MEN1KMT2ADHFR
SCHEMBL16055037 0.88 HSD11B1 (0.41) TNK2HSD11B1MEN1KMT2ADHFR
SCHEMBL17307389 0.86 TNK2 (0.36) TNK2HSD11B1MEN1KMT2ADHFR
SCHEMBL15512365 0.86 TNK2 (0.36) TNK2HSD11B1MEN1KMT2ADHFR
SCHEMBL3500438 0.86 TNK2 (0.44) TNK2HSD11B1MEN1KMT2ADHFR
SCHEMBL14184919 0.85 NPY1R (0.38) TNK2HSD11B1MEN1KMT2ADHFR
SCHEMBL217929 0.84 TNK2 (0.43) TNK2HSD11B1MEN1KMT2ADHFR
SCHEMBL15871182 0.84 TNK2 (0.43) TNK2HSD11B1MEN1KMT2ADHFR
SCHEMBL3109276 0.83 TNK2 (0.46) TNK2HSD11B1MEN1KMT2ADHFR
SCHEMBL17307392 0.82 MEN1 (0.35) TNK2HSD11B1MEN1KMT2ADHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-7351452-B2 Liquid crystalline compounds containing a biphenyl core QINETIQ LIMITED (GB) 2008-04-01 US disclosed
WO-2003040074-A1 LIQUID CRYSTALLINE COMPOUNDS CONTAINING A BIPHENYL CORE QINETIQ LIMITED (GB) 2003-05-15 WO 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-20150340627-A1 MATERIALS FOR ELECTRONIC DEVICES ESR1, EPX, SDHB TNK2 3552/4885HSD11B1 2745/4885MEN1 459/4885

“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.