SCHEMBL2530176

SCHEMBL2530176

BrCCCOc1ccc(OCCCBr)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
PRSS1 P07477 3/20 0.43
LTA4H P09960 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TMPRSS2 O15393 1/20 0.43
PRMT1 Q99873 2/20 0.41
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
FURIN P09958 1/20 0.41
GAA P10253 1/20 0.41
PRMT5 O14744 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11613225 0.95 KCNA3 (0.52) KCNA3PRSS1L3MBTL1TMPRSS2PRMT1
SCHEMBL221617 0.92 CYP3A4 (0.50) KCNA3
SCHEMBL11615899 0.92 KCNA3 (0.55) KCNA3PRSS1L3MBTL1TMPRSS2PRMT1
SCHEMBL2015358 0.90 DRD4 (0.52) LTA4HL3MBTL1DRD2DRD4DRD3
SCHEMBL14095592 0.89 PRMT1 (0.54) KCNA3PRSS1L3MBTL1TMPRSS2PRMT1
SCHEMBL4692348 0.88 LTA4H (0.59) LTA4HDRD2DRD4DRD3
SCHEMBL6626845 0.88 DRD2 (0.59) L3MBTL1DRD2DRD4DRD3KDM4E
SCHEMBL4218226 0.88 DRD2 (0.52) L3MBTL1DRD2DRD4DRD3ALDH1A1
SCHEMBL4754349 0.88 DRD4 (0.55) DRD2DRD4DRD3ALDH1A1SMN1; SMN2
SCHEMBL8315461 0.88 KCNA3 (0.41) KCNA3PRSS1LTA4HL3MBTL1TMPRSS2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113578380-B Column [5] arene ionic liquid catalyst based on propylimidazole functionalization and preparation method thereof 抚顺东科新能源科技有限公司 2022-07-22 CN claimed
US-11845906-B2 Fluorine-containing ether compound, lubricant for magnetic recording medium and magnetic recording medium RESONAC CORPORATION (JP) 2023-12-19 US disclosed
CN-114450263-B Fluorine-containing ether compound, lubricant for magnetic recording medium, and magnetic recording medium 株式会社力森诺科 2023-11-21 CN disclosed
US-20230365491-A1 METHOD FOR INHIBITING OR DISRUPTING BIOFILM FORMATION, OR REDUCING BIOFILM RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2023-11-16 US disclosed
US-20230365491-A1 METHOD FOR INHIBITING OR DISRUPTING BIOFILM FORMATION, OR REDUCING BIOFILM RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2023-11-16 US disclosed
US-20220380695-A1 FLUORINE-CONTAINING ETHER COMPOUND, LUBRICANT FOR MAGNETIC RECORDING MEDIUM AND MAGNETIC RECORDING MEDIUM SHOWA DENKO K.K. (JP) 2022-12-01 US disclosed
US-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure BEIJING SHOWBY PHARMACEUTICAL CO., LTD. (CN) 2022-09-20 US disclosed
CN-113578380-B Column [5] arene ionic liquid catalyst based on propylimidazole functionalization and preparation method thereof 抚顺东科新能源科技有限公司 2022-07-22 CN disclosed
CN-114450263-A Fluorinated ether compound, lubricant for magnetic recording medium, and magnetic recording medium 昭和电工株式会社 2022-05-06 CN disclosed
CN-110087729-B Bifunctional compound with quaternary ammonium salt structure 北京硕佰医药科技有限责任公司 2022-04-05 CN disclosed
EP-3334706-B1 PILLARARENES AND USES THEREOF UNIV RAMOT (IL) 2020-09-30 EP disclosed
EP-3556435-A1 CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE Beijing Showby Pharmaceutical Co., Ltd. (CN) 2019-10-23 EP disclosed
US-9950980-B2 Fluoropolyether compound, lubricant containing same, and magnetic disk MORESCO CORPORATION (JP) 2018-04-24 US disclosed
WO-2017025951-A1 PILLARARENES AND USES THEREOF RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2017-02-16 WO disclosed
EP-3085684-A1 FLUOROPOLYETHER COMPOUND, LUBRICANT CONTAINING SAME, AND MAGNETIC DISK Moresco Corporation (JP) 2016-10-26 EP disclosed
US-20160203839-A1 FLUOROPOLYETHER COMPOUND, LUBRICANT CONTAINING SAME, AND MAGNETIC DISK MORESCO CORPORATION (JP) 2016-07-14 US disclosed
US-8632914-B2 Triazolium and imidazolium salts and uses thereof UNIVERSITY HEALTH NETWORK (CA) 2014-01-21 US disclosed
US-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF UNIVERSITY HEALTH NETWORK (CA) 2011-10-20 US disclosed
US-4209526-A Antiviral arylenedioxyalkyl substituted pyrazoles STERLING DRUG INC. (US) 1980-06-24 US disclosed
US-4171365-A Antiviral aryloxyalkylpyrazoles STERLING DRUG INC. (US) 1979-10-16 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 (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-11447485-B2 Class of bifunctional compounds with quanternary ammonium salt structure AGTR2, AGTR1, ADRB2 KCNA3 94/4885PRSS1 4083/4885LTA4H 682/4885
US-20110257235-A1 TRIAZOLIUM AND IMIDAZOLIUM SALTS AND USES THEREOF ARG2, ARG1, CIT KCNA3 1561/4885PRSS1 3195/4885LTA4H 3717/4885
US-20230365491-A1 METHOD FOR INHIBITING OR DISRUPTING BIOFILM FORMATION, OR REDUCING BIOFILM GNE, PGLS, ALG1 KCNA3 1602/4885PRSS1 1919/4885LTA4H 3777/4885
US-20160203839-A1 FLUOROPOLYETHER COMPOUND, LUBRICANT CONTAINING SAME, AND MAGNETIC DISK AFF2, F12, AFF4 KCNA3 1748/4885PRSS1 3849/4885LTA4H 1884/4885

“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.