SCHEMBL240654

SCHEMBL240654

Cc1cccnc1OC(=O)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
SSTR4 P31391 5/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SSTR1 P30872 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL11683709 0.87 HTT (0.41) HTTNPC1RAB9AATMSSTR4
SCHEMBL29094492 0.83 MAPT (0.41) GAAHTTNPC1RAB9ASSTR4
SCHEMBL982469 0.81 NPC1 (0.42) HTTNPC1RAB9AATMSSTR4
SCHEMBL4537897 0.81 L3MBTL1 (0.43) HTTNPC1RAB9ASSTR4TDP1
SCHEMBL27746423 0.81 CYP1A2 (0.40) GAANPC1RAB9ASSTR4MAPK1
SCHEMBL4538158 0.81 MAPK8 (0.43) GAAHTTNPC1SSTR4ALDH1A1
SCHEMBL27961126 0.79 ALOX15 (0.40) GAAHTTSSTR4MAPK1CYP1A2
SCHEMBL1597855 0.79 NOS3 (0.42) HTTNPC1RAB9AATMSSTR4
SCHEMBL21034695 0.78 ALOX15 (0.46) GAASSTR4SMN1; SMN2SSTR1KMT2A
SCHEMBL4945110 0.78 KDM4E (0.44) HTTNPC1RAB9AATMSSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859803-B2 Process for production of ketomalonic acid compounds or hydrates thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2014-10-14 US disclosed
EP-2447243-A1 PROCESS FOR PRODUCTION OF KETOMALONIC ACID COMPOUNDS OR HYDRATES THEREOF Ihara Chemical Industry Co., Ltd. (JP) 2012-05-02 EP disclosed
US-20120004443-A1 PROCESS FOR PRODUCTION OF KETOMALONIC ACID COMPOUNDS OR HYDRATES THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2012-01-05 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 (1 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-20120004443-A1 PROCESS FOR PRODUCTION OF KETOMALONIC ACID COMPOUNDS OR HYDRATES THEREOF ME1, CA6, ME3 GAA 240/4885HTT 1619/4885NPC1 1787/4885

“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.