SCHEMBL240655

SCHEMBL240655

COC(=O)CC(=O)Oc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 3/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40
APOBEC3G Q9HC16 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 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
SCHEMBL240908 0.93 TSHR (0.45) SMN1; SMN2ALDH1A1TSHRRAB9ANPC1
SCHEMBL38661115 0.86 TSHR (0.45) SMN1; SMN2ALDH1A1TSHRRAB9ANPC1
SCHEMBL969754 0.84 TSHR (0.42) SMN1; SMN2ALDH1A1TSHRRAB9ANPC1
SCHEMBL30571184 0.82 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1TSHRRAB9ANPC1
SCHEMBL4996914 0.82 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1TSHRRAB9ANPC1
SCHEMBL7583697 0.81 TSHR (0.56) SMN1; SMN2ALDH1A1TSHRRAB9ANPC1
Bromide SCHEMBL28268585 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TSHRRAB9ANPC1
SCHEMBL245065 0.80 NPC1 (0.46) SMN1; SMN2ALDH1A1TSHRRAB9ANPC1
SCHEMBL27811093 0.80 TSHR (0.41) SMN1; SMN2ALDH1A1TSHRRAB9ANPC1
SCHEMBL700968 0.79 PDE4A (0.45) SMN1; SMN2ALDH1A1TSHRRAB9ANPC1

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 SMN1; SMN2 3843/4885ALDH1A1 1227/4885TSHR 3237/4885

“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.