SCHEMBL12563828

SCHEMBL12563828

COC(=O)c1cccc(OCCOCCOS(C)(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ POLB P06746 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.46
▸ CYSLTR1 Q9Y271 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL25288186 0.96 MAPT (0.52) MAPTRAB9APOLBALDH1A1CYP1A2
SCHEMBL18105841 0.88 L3MBTL1 (0.55) MAPTRAB9APOLBALDH1A1KMT2A
SCHEMBL12563864 0.87 MAPT (0.47) MAPTRAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL12518955 0.84 MAPT (0.54) MAPTRAB9APOLBALDH1A1CYP1A2
SCHEMBL29768570 0.83 TCF4 (0.50) MAPTRAB9APOLBALDH1A1CYP1A2
SCHEMBL1989028 0.82 KMT2A (0.62) MAPTRAB9AALDH1A1CYP1A2CYP3A4
SCHEMBL18105809 0.82 LOXL2 (0.52) MAPTRAB9APOLBALDH1A1MRGPRX4
SCHEMBL18105808 0.82 LOXL2 (0.52) MAPTRAB9APOLBALDH1A1MRGPRX4
SCHEMBL31286940 0.82 RAB9A (0.55) MAPTRAB9APOLBALDH1A1CYP1A2
SCHEMBL385706 0.81 RAB9A (0.59) MAPTRAB9APOLBALDH1A1CYP1A2

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-20130022976-A1 HYPERTHERMOSTABLE ENDONUCLEASE IV SUBSTRATE PROBE ELITECH HOLDING B.V. 2013-01-24 — — US disclosed
US-20110151457-A1 HYPERTHEROMOSTABLE ENDONUCLEASE IV SUBSTRATE PROBE ELITECH HOLDING B.V. 2011-06-23 — — 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-20110151457-A1 HYPERTHEROMOSTABLE ENDONUCLEASE IV SUBSTRATE PROBE DNASE1, FEN1, UNG MAPT 3951/4885RAB9A 4477/4885POLB 53/4885

“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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