SCHEMBL17893674

SCHEMBL17893674

C=COc1ccc2c(-c3ccc(NC(=O)CCCC(=O)O)cc3C)c3ccc(=O)cc-3oc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ GAA P10253 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ CA9 Q16790 9/20 0.41
▸ CA1 P00915 8/20 0.41
▸ CA2 P00918 8/20 0.41
▸ CA12 O43570 6/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ DNASE1L3 Q13609 1/20 0.37
▸ PRMT1 Q99873 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ CA14 Q9ULX7 2/20 0.36
▸ POLB P06746 2/20 0.36

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
SCHEMBL17903994 0.87 ALDH1A1 (0.37) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL17903544 0.77 USP2 (0.51) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL17210588 0.71 USP2 (0.50) MEN1KMT2ACA9CA1CA2
SCHEMBL17067944 0.71 CA9 (0.61) MEN1KMT2ACA9CA1CA2
SCHEMBL15496806 0.71 CA9 (0.55) MEN1KMT2ACA9CA1CA2
SCHEMBL13019272 0.70 CA9 (0.47) MEN1KMT2ACA9CA1CA2
SCHEMBL16808265 0.69 ALDH1A1 (0.51) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL17903564 0.68 CA9 (0.53) MEN1KMT2ACA9CA1CA2
SCHEMBL14642993 0.67 CA1 (0.56) CA9CA1CA2CA12CA14
SCHEMBL14852664 0.67 CA9 (0.58) CA9CA1CA2CA12L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180244643-A1 HIGHLY SENSITIVE DETECTION OF BIOMOLECULES USING PROXIMITY INDUCED BIOORTHOGONAL REACTIONS UNIV CALIFORNIA (US) 2018-08-30 — — US disclosed
WO-2016109733-A1 HIGHLY SENSITIVE DETECTION OF BIOMOLECULES USING PROXIMITY INDUCED BIOORTHOGONAL REACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-07-07 — — 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 (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-20180244643-A1 HIGHLY SENSITIVE DETECTION OF BIOMOLECULES USING PROXIMITY INDUCED BIOORTHOGONAL REACTIONS ICAM1, TLL1, TTL KDM4E 4379/4885ALDH1A1 1295/4885HPGD 3638/4885

“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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