SCHEMBL1810756

SCHEMBL1810756

O=C1CCCC1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.60
PSEN2 P49810 4/20 0.60
APH1B Q8WW43 4/20 0.60
NCSTN Q92542 4/20 0.60
APH1A Q96BI3 4/20 0.60
PSENEN Q9NZ42 4/20 0.60
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CTSC P53634 1/20 0.40
CTSF Q9UBX1 1/20 0.40
CYP19A1 P11511 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL30927142 1.00 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25197523 1.00 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3809154 0.95 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29918665 0.93 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1797263 0.89 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22749632 0.89 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29631723 0.83 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8781861 0.82 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29014615 0.80 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5722120 0.80 MAOB (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148732-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. 2024-05-09 US disclosed
WO-2024064731-A2 RAPID ENTRY INTO COTYLENIN CHEMICAL SPACE FOR DEVELOPMENT OF SELECTIVE 14-3-3 MOLECULAR GLUES THE SCRIPPS RESEARCH INSTITUTE (US) 2024-03-28 WO disclosed
EP-4284804-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS Schrödinger, Inc. (US) 2023-12-06 EP disclosed
CN-117120442-A Tricyclic compounds useful for treating cancer, autoimmune disorders, and inflammatory disorders 薛定谔公司 2023-11-24 CN disclosed
WO-2022164789-A9 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS SCHRÖDINGER, INC. (US) 2023-05-25 WO disclosed
WO-2022164789-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISODERS SCHRÖDINGER, INC. (US) 2022-08-04 WO disclosed
CN-107980011-B Method for the homogeneous catalytic reduction of aminated carbonyl compounds 巴斯夫欧洲公司 2020-10-27 CN disclosed
US-10450261-B2 Method for the homogeneous catalytic reductive amination of carbonyl compounds BASF SE (DE) 2019-10-22 US disclosed
EP-3302795-B1 METHOD FOR THE HOMOGENEOUS CATALYTIC REDUCTIVE AMINATION OF CARBONYL COMPOUNDS BASF SE (DE) 2019-07-31 EP disclosed
EP-2496556-B1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-12-26 EP disclosed
US-20130123618-A1 Imaging Agents EMORY UNIVERSITY (US) 2013-05-16 US disclosed
US-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-10-18 US disclosed
EP-2496556-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-09-12 EP disclosed
WO-2011053948-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-05-05 WO disclosed
US-20110033382-A1 Imaging Agents EMORY UNIVERSITY (US) 2011-02-10 US disclosed
US-7294738-B2 Phosphorous containing steroid mimics RAJAGOPALAN RAGHAVAN 2007-11-13 US disclosed
US-7294738-B2 Phosphorous containing steroid mimics RAJAGOPALAN RAGHAVAN 2007-11-13 US disclosed
WO-2006055879-A2 NOVEL PHOSPHOROUS CONTAINING STEROID MIMICS BIOFLEXIS, LLC (US) 2006-05-26 WO disclosed
US-20050137170-A1 Novel phosphorous containing steroid mimics BIOFLEXIS, LLC (US) 2005-06-23 US disclosed
WO-2002055470-A1 METHOD FOR THE ENANTIOSELECTIVE PREPARATION OF ADDUCTS OF $G(A)-SUBSTITUTED PHENYLETHYLAMINE-CYCLOALKANES AND OF 2-ACETOXYACRYLONITRILE, INTERMEDIATES IN THE ENANTIOSELECTIVE SYNTHESIS OF THE LATERAL CHAIN OF HARRINGTONINES ONCOPHARM (FR) 2002-07-18 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 (6 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-20110033382-A1 Imaging Agents FOLH1, FABP7, SLC1A2 PSEN1 1264/4885PSEN2 775/4885APH1B 2224/4885
US-20240148732-A1 TRICYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISORDERS MALT1, LITAF, IL2 PSEN1 3417/4885PSEN2 3796/4885APH1B 2653/4885
US-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LPAR2, LIPG, EDF1 PSEN1 4232/4885PSEN2 3249/4885APH1B 1449/4885
US-20130123618-A1 Imaging Agents FOLH1, FABP7, SLC1A2 PSEN1 1264/4885PSEN2 775/4885APH1B 2224/4885
US-10450261-B2 Method for the homogeneous catalytic reductive amination of carbonyl compounds CAT, AOC1, CYCS PSEN1 4396/4885PSEN2 3855/4885APH1B 2735/4885
US-20050137170-A1 Novel phosphorous containing steroid mimics NR5A1, NR3C2, AR PSEN1 1427/4885PSEN2 1907/4885APH1B 4495/4885

“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.