SCHEMBL2118360

SCHEMBL2118360

Cc1ccc(C(=O)CCC=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.66
GSK3B P49841 1/20 0.53
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MEN1 O00255 3/20 0.50
CTNNB1 P35222 3/20 0.49
WNT3A P56704 3/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 2/20 0.47
HTT P42858 2/20 0.47
ATM Q13315 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
NLRP1 Q9C000 1/20 0.47
NTSR1 P30989 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46

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
SCHEMBL8591374 0.85 KMT2A (0.58) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL18133002 0.85 KMT2A (0.58) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL16552778 0.83 KMT2A (0.83) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL11006754 0.82 KMT2A (0.58) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL19043219 0.81 ALDH1A1 (0.52) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL29062363 0.80 TPMT (0.45) KMT2AMEN1CTNNB1WNT3AHPGD
SCHEMBL11525096 0.80 NPC1 (0.64) KMT2ANPC1RAB9AMEN1CTNNB1
SCHEMBL5731669 0.80 GSK3B (0.55) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL9110541 0.80 GSK3B (0.55) KMT2AGSK3BNPC1RAB9AMEN1
SCHEMBL3628597 0.79 RAB9A (0.54) KMT2ANPC1RAB9AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322667-A1 DIHYDROFOLATE SYNTHASE (DHFS) INHIBITING AGENTS AND METHODS OF MAKING AND USING SAME WASHINGTON UNIVERSITY (US) 2023-10-12 US disclosed
US-9493436-B2 Tyrosine phosphatase inhibitors and uses thereof to modulate the activity of enzymes involved in the pathology of Mycobacterium tuberculosis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-11-15 US disclosed
US-9493436-B2 Tyrosine phosphatase inhibitors and uses thereof to modulate the activity of enzymes involved in the pathology of Mycobacterium tuberculosis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-11-15 US disclosed
US-20140179735-A1 TYROSINE PHOSPHATASE INHIBITORS AND USES THEREOF TO MODULATE THE ACTIVITY OF ENZYMESp INVOLVED IN THE PATHOLOGY OF MYCOBACTERIUM TUBERCULOSIS INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2014-06-26 US disclosed
US-8477275-B2 Optical film and liquid crystal display device FUJIFILM CORPORATION (JP) 2013-07-02 US disclosed
US-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY (US) 2013-04-25 US disclosed
US-8420187-B2 Cellulose acylate composition, cellulose acylate film, and its applications FUJIFILM CORPORATION (JP) 2013-04-16 US disclosed
US-20120092594-A1 OPTICAL FILM AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2012-04-19 US disclosed
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS GENERAL ELECTRIC COMPANY 2011-11-24 US disclosed
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-20090002605-A1 CELLULOSE ACYLATE COMPOSITION, CELLULOSE ACYLATE FILM, AND ITS APPLICATIONS FUJIFILM CORPORATION (JP) 2009-01-01 US disclosed
US-20080241430-A1 CELLULOSE COMPOUND COMPOSITION, CELLULOSE COMPOUND FILM, OPTICALLY COMPENSATORY SHEET, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2008-10-02 US disclosed
WO-2007111994-A2 COMPOUNDS AND METHODS FOR TREATMENT OF DISORDERS ASSOCIATED WITH ER STRESS SYNDEXA PHARMACEUTICALS CORPORATION (US) 2007-10-04 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 (4 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-20230322667-A1 DIHYDROFOLATE SYNTHASE (DHFS) INHIBITING AGENTS AND METHODS OF MAKING AND USING SAME DHFR, DHPS, MTHFD1 KMT2A 2426/4885GSK3B 3565/4885NPC1 2495/4885
US-20130101509-A1 IMAGING AND RADIOTHERAPY METHODS ALDH2, ALDH3A1, ALDH1A1 KMT2A 1972/4885GSK3B 3759/4885NPC1 1239/4885
US-20110286922-A1 IMAGING AND RADIOTHERAPY METHODS ALDH2, ALDH3A1, ALDH1A1 KMT2A 1972/4885GSK3B 3759/4885NPC1 1239/4885
US-20140179735-A1 TYROSINE PHOSPHATASE INHIBITORS AND USES THEREOF TO MODULATE THE ACTIVITY OF ENZYMESp INVOLVED IN THE PATHOLOGY OF MYCOBACTERIUM TUBERCULOSIS PPP3CB, PPP4C, PTPRB KMT2A 2666/4885GSK3B 884/4885NPC1 4752/4885

“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.