SCHEMBL5653057

SCHEMBL5653057

CCc1ccc(OCc2ccccc2)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KDM4E B2RXH2 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
BLM P54132 1/20 0.60
APP P05067 1/20 0.60
ABCB1 P08183 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.58
BCHE P06276 1/20 0.58
MTNR1A P48039 2/20 0.57
MTNR1B P49286 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL8554822 0.93 MAPK1 (0.64) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL13753876 0.91 MEN1 (0.56) NPC1RAB9AMEN1KMT2AHPGD
Ammonia Solution, Strong SCHEMBL11688841 0.90 MEN1 (0.55) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL30028618 0.89 MEN1 (0.58) NPC1RAB9AMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL27511963 0.88 MEN1 (0.57) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL2815923 0.87 KDM4E (0.65) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL23642995 0.87 NPC1 (0.56) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL12251449 0.87 MEN1 (0.63) NPC1RAB9AMEN1KMT2AHPGD
SCHEMBL23643207 0.87 CSF1R (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13917946 0.87 ABCB1 (0.62) NPC1RAB9AMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4206184-A1 PHENOL DERIVATIVE Sumitomo Pharma Co., Ltd. (JP) 2023-07-05 EP disclosed
WO-2021067490-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY CVI PHARMACEUTICALS LIMITED (KY) 2021-04-08 WO disclosed
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 US disclosed
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 US disclosed
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 US disclosed
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 US disclosed
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
US-20170226124-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2017-08-10 US disclosed
EP-1389216-B1 AVERMECTINS SUBSTITUTED IN THE 4\"-POSITION HAVING PESTICIDAL PROPERTIES MERIAL INC (US) 2017-02-22 EP disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-20080200469-A1 e.g. 4-[5-(Piperidine-1-carbonyl)-furan-2-ylmethyl]-2H-phthalazin-1-one; enzyme poly(ADP-ribose)polymerase (synthase)-1 or poly ADP-ribosyltransferase (PARP-1) inhibitor; anticarcinogenic agent with BRCA2 deficient phenotype; septic shock; ischemic injury; hemorrhagic shock; multiple sclerosis KUDOS PHARMACEUTICALS LIMITED 2008-08-21 US disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
US-7250432-B2 Pharmaceutical compositions of diaryl-isoxazole derivatives for the prevention and treatment of cancers KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2007-07-31 US disclosed
WO-2006126751-A1 NEW DIARYL-ISOXAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME FOR THE PREVENTION AND THE TREATMENT OF CANCERS KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2006-11-30 WO disclosed
US-20050131036-A1 Pharmaceutical compositions of diaryl-isoxazole derivatives for the prevention and treatment of cancers KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2005-06-16 US disclosed
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-04-29 US disclosed
EP-0617022-B1 6,7, dialkoxy-3,4-dihydroisoquinolin-8-ol, process for preparation thereof and process for preparation of 6,7-dialkoxy-1,2,3,4-tetrahydroisoquinolin-8-ol using the compound BANYU PHARMA CO LTD (JP) 1998-02-11 EP disclosed
US-5498717-A CHEMICAL INTERMEDIATES FOR PRODUCING ANTITUMOR POTENTIATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-12 US disclosed
US-5446164-A Regioselective cyclization of phenethylamide derivative in presence of phosphoric acid halide, reducing formed compound BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-29 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 (7 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT NPC1 245/4885RAB9A 1408/4885MEN1 3715/4885
US-20170226124-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 NPC1 1989/4885RAB9A 3570/4885MEN1 1419/4885
US-20040082578-A1 Arylindenopyridines and related therapeutic and prophylactic methods ADORA2A, ADORA1, PDE2A NPC1 1354/4885RAB9A 2212/4885MEN1 3926/4885
US-20080200469-A1 e.g. 4-[5-(Piperidine-1-carbonyl)-furan-2-ylmethyl]-2H-phthalazin-1-one; enzyme poly(ADP-ribose)polymerase (synthase)-1 or poly ADP-ribosyltransferase (PARP-1) inhibitor; anticarcinogenic agent with BRCA2 deficient phenotype; septic shock; ischemic injury; hemorrhagic shock; multiple sclerosis PARP1, PARP11, PARP2 NPC1 4492/4885RAB9A 4538/4885MEN1 3842/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT NPC1 245/4885RAB9A 1408/4885MEN1 3715/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT NPC1 245/4885RAB9A 1408/4885MEN1 3715/4885
US-20050131036-A1 Pharmaceutical compositions of diaryl-isoxazole derivatives for the prevention and treatment of cancers UACA, SQLE, ALDH1A2 NPC1 3303/4885RAB9A 1018/4885MEN1 3914/4885

“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.