SCHEMBL8405356

SCHEMBL8405356

CCCCOc1ccc(B(O)O)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
NR5A1 Q13285 1/20 0.43
MCL1 Q07820 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
PDK2 Q15119 1/20 0.40
CRBN Q96SW2 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL29955018 1.00 LTA4H (0.43) LTA4HNR5A1MCL1MEN1NPC1
SCHEMBL29955228 0.97 NR5A1 (0.49) LTA4HNR5A1PDK2
SCHEMBL6556182 0.97 NR5A1 (0.49) LTA4HNR5A1PDK2
SCHEMBL8220604 0.95 NR5A1 (0.51) LTA4HNR5A1PDK2
SCHEMBL30620165 0.95 NR5A1 (0.51) LTA4HNR5A1PDK2
SCHEMBL9493283 0.95 NR5A1 (0.51) LTA4HNR5A1PDK2
SCHEMBL8209170 0.95 NR5A1 (0.51) LTA4HNR5A1PDK2
SCHEMBL6656507 0.95 NR5A1 (0.51) LTA4HNR5A1PDK2
SCHEMBL29953890 0.93 LTA4H (0.43) LTA4HMEN1NPC1MAPTRAB9A
SCHEMBL16265305 0.87 RARB (0.56) LTA4HNR5A1MCL1RARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202508-B2 Dye compounds MERCK PATENT GMBH (DE) 2019-02-12 US disclosed
US-9879183-B2 Liquid crystal compound having CF2O bonding group and tolan skeleton, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-01-30 US disclosed
US-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-09-28 US disclosed
US-20170107427-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-04-20 US disclosed
US-20170107427-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-04-20 US disclosed
US-20170002203-A1 DYE COMPOUNDS MERCK PATENT GMBH (DE) 2017-01-05 US disclosed
US-20170002203-A1 DYE COMPOUNDS MERCK PATENT GMBH (DE) 2017-01-05 US disclosed
WO-2016031842-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING EFFECT 塩野義製薬株式会社 2016-03-03 WO disclosed
US-7910018-B2 Compounds for use in liquid crystal devices QINETIQ LIMITED (GB) 2011-03-22 US disclosed
US-20090066905-A1 Componds for use in liquid crystal devices QINETIQ LIMITED (GB) 2009-03-12 US disclosed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US disclosed
EP-0453503-B1 PHENYL NAPHTHALENES HAVING LIQUID CRYSTALLINE PROPERTIES SECR DEFENCE BRIT (GB) 1995-03-22 EP disclosed
US-5252253-A Phenyl naphthalenes having liquid crystalline properties THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1993-10-12 US disclosed
EP-0453503-A1 PHENYL NAPHTHALENES HAVING LIQUID CRYSTALLINE PROPERTIES. SECR DEFENCE BRIT (GB) 1991-10-30 EP disclosed
WO-1990008119-A1 PHENYL NAPHTHALENES HAVING LIQUID CRYSTALLINE PROPERTIES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1990-07-26 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 (4 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-20090066905-A1 Componds for use in liquid crystal devices FZD7, CFD, PYCARD LTA4H 1730/4885NR5A1 148/4885MCL1 3069/4885
US-20170107427-A1 LIQUID CRYSTAL COMPOUND HAVING CF2O BONDING GROUP AND TOLAN SKELETON, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE PIEZO1, TLN1, TCOF1 LTA4H 1298/4885NR5A1 3423/4885MCL1 2392/4885
US-20170273955-A1 AZAINDOLE DERIVATIVE HAVING AMPK-ACTIVATING ACTIVITY PRKAA1, PRKAA2, PRKAG1 LTA4H 3505/4885NR5A1 1501/4885MCL1 3404/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 LTA4H 2624/4885NR5A1 167/4885MCL1 2792/4885

“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.