SCHEMBL322457

SCHEMBL322457

CCc1cccc(OCC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SOD1 P00441 1/20 0.49
TRIM24 O15164 1/20 0.44
FAAH O00519 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL327462 0.86 PPARA (0.46) TRIM24FAAHTAAR1NR1H4
SCHEMBL9121963 0.86 TSHR (0.48) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL9326234 0.86 TAAR1 (0.53) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL11162901 0.86 GPBAR1 (0.50) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL9122825 0.86 LMNA (0.59) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL320945 0.85 TAAR1 (0.51) ALDH1A1MAPK1TSHRTRIM24FAAH
SCHEMBL12648147 0.84 KDM4E (0.48) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL2967940 0.84 TRIM24 (0.55) KDM4EMAPK1SMN1; SMN2TSHRTRIM24
SCHEMBL20201962 0.84 ALDH1A1 (0.49) KDM4EALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL272030 0.84 TRIM24 (0.43) MAPK1TSHRTRIM24FAAHTAAR1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968179-B2 Charged ion channel blockers and methods for use Nocion Therapeutics, Inc. (US) 2021-04-06 US disclosed
US-20200290953-A1 Charged Ion Channel Blockers and Methods for Use Nocion Therapeutics, Inc. 2020-09-17 US disclosed
WO-2017006270-A1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-01-12 WO disclosed
US-9518000-B2 Bicyclo [2.2.1] acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 US disclosed
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 US disclosed
US-8362054-B2 Therapeutic substituted lactams ALLERGAN, INC. (US) 2013-01-29 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8133898-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-13 US disclosed
US-8022215-B2 Fused pyridone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2011-09-20 US disclosed
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors PFIZER INC. (US) 2011-09-15 US disclosed
US-7968725-B2 Pyridinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
US-7803797-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2010-09-28 US disclosed
US-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS ALLERGAN, INC. 2010-07-01 US disclosed
US-20100137310-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-28 US disclosed
US-20090270385-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-10-29 US disclosed
US-3936462-A CNS DEPRESSANT, ANALGESIC STERLING DRUG INC. (US) 1976-02-03 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 (9 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT KDM4E 2733/4885ALDH1A1 947/4885MAPK1 864/4885
US-20200290953-A1 Charged Ion Channel Blockers and Methods for Use TRPV1, TRPV2, TRPV5 KDM4E 2621/4885ALDH1A1 2736/4885MAPK1 1952/4885
US-20100137310-A1 RENIN INHIBITORS REN, ACE, PRSS3 KDM4E 3124/4885ALDH1A1 1131/4885MAPK1 2740/4885
US-20090270385-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS GBA1, GNAO1, UGT2B7 KDM4E 2316/4885ALDH1A1 551/4885MAPK1 2440/4885
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS GPR180, GPR88, GPBAR1 KDM4E 4189/4885ALDH1A1 2096/4885MAPK1 635/4885
US-10968179-B2 Charged ion channel blockers and methods for use TRPV1, TRPV2, TRPV5 KDM4E 2621/4885ALDH1A1 2736/4885MAPK1 1952/4885
US-20100168189-A1 THERAPEUTIC SUBSTITUTED LACTAMS PIGO, GARS1, CLPP KDM4E 2991/4885ALDH1A1 2303/4885MAPK1 4809/4885
US-20100022583-A1 PYRIDINYL MODULATORS OF gamma-SECRETASE BACE1, PSEN1, BACE2 KDM4E 1342/4885ALDH1A1 2142/4885MAPK1 3026/4885
US-20110224231-A1 Novel Lactams as Beta Secretase Inhibitors BACE1, BACE2, APH1B KDM4E 3232/4885ALDH1A1 2135/4885MAPK1 3936/4885

“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.