SCHEMBL5723573

SCHEMBL5723573

BrP(c1ccccc1)(c1ccccc1)(c1ccccc1)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.39
ALDH1A1 P00352 3/20 0.36
HPGD P15428 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
EPHX1 P07099 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL5723428 0.98 EPHX2 (0.42) EPHX2ALDH1A1HPGDNPC1RAB9A
SCHEMBL17147802 0.95 LMNA (0.36) EPHX2ALDH1A1HPGDNPC1RAB9A
SCHEMBL12389039 0.91 PTPN1 (0.34) EPHX2ALDH1A1HPGDNPC1RAB9A
SCHEMBL14605257 0.77 EPHX2 (0.36) EPHX2ALDH1A1HPGDNPC1RAB9A
SCHEMBL11571042 0.76 EPHX2 (0.37) EPHX2ALDH1A1HPGDNPC1RAB9A
SCHEMBL2255757 0.74 HPGD (0.37) EPHX2ALDH1A1HPGDNPC1RAB9A
SCHEMBL16968773 0.74 POLB (0.32) EPHX2ALDH1A1HPGDEPHX1TSHR
SCHEMBL7871029 0.72 EPHX2 (0.35) EPHX2ALDH1A1HPGDNPC1RAB9A
SCHEMBL16978486 0.72 NPC1 (0.40) EPHX2ALDH1A1HPGDNPC1RAB9A
SCHEMBL23563765 0.71 EPHX2 (0.37) EPHX2ALDH1A1HPGDRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022131350-A1 DEOXYRIBONUCLEOSIDE OR DEOXYRIBONUCLEOTIDE HAVING NOVEL ARTIFICIAL BASE CAPABLE OF BEING USED FOR SCREENING FOR DNA APTAMER, AND NUCLEIC ACID CONTAINING SAME タグシクス・バイオ株式会社 2022-06-23 WO disclosed
US-9517990-B2 Negative dielectric anisotropic liquid crystal compounds containing 2,3-difluorophenyl group, and preparation method and use thereof Shijiazhuang Chenzhi Yonghua Display Materials Co., Ltd. (CN) 2016-12-13 US disclosed
US-9517990-B2 Negative dielectric anisotropic liquid crystal compounds containing 2,3-difluorophenyl group, and preparation method and use thereof Shijiazhuang Chenzhi Yonghua Display Materials Co., Ltd. (CN) 2016-12-13 US disclosed
US-9428693-B2 Liquid crystal composition having negative dielectric anisotropy SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-08-30 US disclosed
US-9428693-B2 Liquid crystal composition having negative dielectric anisotropy SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-08-30 US disclosed
US-9303208-B2 Liquid crystal compound containing cyclopentyl and difluorometheneoxy linking group, preparation method and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-04-05 US disclosed
US-9303208-B2 Liquid crystal compound containing cyclopentyl and difluorometheneoxy linking group, preparation method and application thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2016-04-05 US disclosed
US-20150218449-A1 LIQUID CRYSTAL COMPOUND CONTAINING CYCLOPENTYL AND DIFLUOROMETHENEOXY LINKING GROUP, PREPARATION METHOD AND APPLICATION THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATRIALS CO., LTD. (CN) 2015-08-06 US disclosed
US-20150218449-A1 LIQUID CRYSTAL COMPOUND CONTAINING CYCLOPENTYL AND DIFLUOROMETHENEOXY LINKING GROUP, PREPARATION METHOD AND APPLICATION THEREOF SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATRIALS CO., LTD. (CN) 2015-08-06 US disclosed
US-20150184075-A1 Liquid Crystal Composition Having Negative Dielectric Anisotropy SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD. (CN) 2015-07-02 US disclosed
US-20040116431-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2004-06-17 US disclosed
EP-1406609-A2 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2004-04-14 EP disclosed
EP-1406609-A4 SUBSTITUTED ARYL COMPOUNDS AS NOVEL CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED INC (US) 2004-04-14 EP disclosed
US-6706724-B2 ANTITUMOR AGENTS; ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETIC AGENT NITROMED, INC. 2004-03-16 US disclosed
US-20020119977-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications NICOX S.A. (FR) 2002-08-29 US disclosed
WO-2002060378-A2 SUBSTITUTED ARYL COMPOUNDS AS CYCLOOXYGENASE-2 SELECTIVE INHIBITORS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2002-08-08 WO disclosed
EP-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
CN-1110969-A Fused phenol derivatives ONO PHARMACEUTICAL CO (JP) 1995-11-01 CN disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 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-20020119977-A1 Substituted aryl compounds as novel cyclooxygenase-2 selective inhibitors, compositions and methods of use related applications PTGS2, PTGES2, PTGES EPHX2 38/4885ALDH1A1 643/4885HPGD 24/4885

“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.