SCHEMBL13239393

SCHEMBL13239393

CCCCCC1CCC(C2CCC(COOC(COC(=O)C3CCC(C4CCC(CCCCC)CC4)CC3)C3CCCCC3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.35
CCR2 P41597 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
CTSK P43235 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
LSS P48449 2/20 0.33

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
SCHEMBL13701727 0.99 MEN1 (0.38) PKMMEN1HTTKMT2ATP53
SCHEMBL13767051 0.88 CTSK (0.40) PKMMEN1HTTKMT2ATP53
SCHEMBL25573598 0.87 ADRB2 (0.33) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL15128248 0.85 CTSK (0.39) PKMMEN1HTTKMT2ATP53
SCHEMBL883746 0.80 CTSK (0.42) PKMMEN1HTTKMT2ATP53
SCHEMBL13095730 0.77 TP53 (0.43) PKMMEN1HTTKMT2ATP53
SCHEMBL9062311 0.77 PKM (0.45) PKMMEN1HTTKMT2ATP53
SCHEMBL9060182 0.76 HTT (0.46) PKMMEN1HTTKMT2ATP53
SCHEMBL9061822 0.76 HTT (0.46) PKMMEN1HTTKMT2ATP53
SCHEMBL10844276 0.76 TP53 (0.44) PKMMEN1HTTKMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183571-A1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-06-15 US disclosed
US-11667845-B2 Liquid crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-11667840-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2023-06-06 US disclosed
US-20180208848-A1 LIQUID CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2018-07-26 US disclosed
US-20170002269-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2017-01-05 US disclosed
US-20150146155-A1 LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2015-05-28 US disclosed
US-7754103-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2010-07-13 US disclosed
US-20090225270-A1 LIQUID-CRYSTALLINE MEDIUM AND LIQUID-CRYSTAL DISPLAY HAVING HIGH TWIST MERCK PATENT GESELLSCHAFT (DE) 2009-09-10 US disclosed
US-20090194738-A1 Liquid-crystalline medium MANABE ATSUTAKA 2009-08-06 US disclosed
US-7201951-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2007-04-10 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 (2 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-11667845-B2 Liquid crystalline medium NEFM, CCNI, MYT1 PKM 1261/4885MEN1 317/4885HTT 759/4885
US-11667840-B2 Liquid-crystalline medium FES, BLM, CXCL12 PKM 2638/4885MEN1 81/4885HTT 3045/4885

“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.