SCHEMBL2589677

SCHEMBL2589677

Cc1cc(I)c(C)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
G6PD P11413 1/20 0.55
CYP2C9 P11712 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
CCR6 P51684 1/20 0.55
HIF1A Q16665 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL19669154 0.86 MAPT (0.43) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL7873560 0.86 KDM4E (0.50) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL7871735 0.83 MAPT (0.42) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL19308335 0.83 KDM4E (0.55) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL9909174 0.83 TTR (0.39) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL12658291 0.83 KDM4E (0.48) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL70123 0.82 MAPT (0.75) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL1685558 0.82 TTR (0.37) ALDH1A1CYP3A4MAPK1TP53TDP1
SCHEMBL3892350 0.80 MAPT (0.43) KDM4EMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL32665527 0.77 KDM4E (0.37) KDM4EMAPTALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 US disclosed
CN-1751019-A Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL (JP) 2006-03-22 CN disclosed
CN-1723418-A Composition for forming antireflection film for lithography NISSAN CHEMICAL IND LTD (JP) 2006-01-18 CN disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
EP-1560070-A1 COMPOSITION FOR FORMING ANTIREFLECTION FILM FOR LITHOGRAPHY Nissan Chemical Industries, Ltd. (JP) 2005-08-03 EP disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 WO disclosed
US-20030032779-A1 Estrogen receptor ligands OHMAN LARS (SE) 2003-02-13 US disclosed
EP-0980386-A2 ESTROGEN RECEPTOR CRYSTALS AND LIGANDS KARO BIO AB (SE) 2000-02-23 EP disclosed
WO-1998056812-A2 ESTROGEN RECEPTOR CRYSTALS AND LIGANDS KARO BIO AB (SE) 1998-12-17 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 (5 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-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR KDM4E 303/4885MAPT 259/4885ALDH1A1 852/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS KDM4E 1936/4885MAPT 4316/4885ALDH1A1 2706/4885
US-20030032779-A1 Estrogen receptor ligands ESR1, ESRRB, GPER1 KDM4E 3197/4885MAPT 4298/4885ALDH1A1 2183/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 KDM4E 1534/4885MAPT 3475/4885ALDH1A1 322/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS KDM4E 4202/4885MAPT 4271/4885ALDH1A1 1577/4885

“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.