SCHEMBL12648300

SCHEMBL12648300

NC(C(=O)O)c1cc(O)c(Cl)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 6/20 0.55
▸ HSD17B10 Q99714 5/20 0.55
▸ KDM4E B2RXH2 5/20 0.55
▸ TDP1 Q9NUW8 5/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ HPGD P15428 4/20 0.55
▸ CYP2C9 P11712 3/20 0.55
▸ GRM2 Q14416 2/20 0.55
▸ CYP2C19 P33261 2/20 0.50
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.44
▸ GRM8 O00222 1/20 0.44
▸ GRM6 O15303 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ GRM4 Q14833 1/20 0.44

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
SCHEMBL24711534 0.83 KDM4E (0.58) GRM1HSD17B10KDM4ETDP1MEN1
SCHEMBL23129230 0.79 MEN1 (0.56) GRM1HSD17B10KDM4ETDP1MEN1
SCHEMBL18326526 0.79 GRM1 (0.55) GRM1HSD17B10KDM4ETDP1MEN1
SCHEMBL3621318 0.78 MEN1 (0.47) GRM1HSD17B10KDM4ETDP1MEN1
SCHEMBL3621314 0.78 MEN1 (0.47) GRM1HSD17B10KDM4ETDP1MEN1
SCHEMBL1512962 0.76 KDM4E (0.50) GRM1HSD17B10KDM4ETDP1MEN1
SCHEMBL4314455 0.76 KDM4E (0.50) GRM1HSD17B10KDM4ETDP1MEN1
SCHEMBL12648471 0.76 KDM4E (0.50) GRM1HSD17B10KDM4ETDP1MEN1
SCHEMBL449665 0.75 TDP1 (0.70) GRM1HSD17B10KDM4ETDP1MEN1
SCHEMBL3478437 0.75 TDP1 (0.70) GRM1HSD17B10KDM4ETDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 — — US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 — — US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 — — US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 — — US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 — — 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 (2 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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS GRM1 4797/4885HSD17B10 4450/4885KDM4E 1669/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS GRM1 4847/4885HSD17B10 2950/4885KDM4E 3796/4885

“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.

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