SCHEMBL18179099

SCHEMBL18179099

CCCn1cc(P(=O)(O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ NAMPT P43490 8/20 0.35
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIP5K1C O60331 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PI4KA P42356 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL24627874 0.87 L3MBTL1 (0.41) L3MBTL1GGPS1
SCHEMBL18534183 0.87 L3MBTL1 (0.41) L3MBTL1GGPS1
SCHEMBL18534153 0.85 MAPT (0.39) L3MBTL1ALDH1A1MAPTNAMPTKMT2A
SCHEMBL18534224 0.79 EGLN3 (0.42) L3MBTL1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL20845830 0.78 L3MBTL1 (0.45) L3MBTL1ALDH1A1MAPTRAB9ANAMPT
SCHEMBL18183254 0.75 ALDH1A1 (0.37) L3MBTL1ALDH1A1PIK3CGLMNAHTT
SCHEMBL17933331 0.75 ACHE (0.38) ALDH1A1
SCHEMBL17933369 0.72 ACHE (0.36) L3MBTL1
SCHEMBL24628384 0.71 L3MBTL1 (0.35) L3MBTL1ALDH1A1LMNASMN1; SMN2JAK2
SCHEMBL16101449 0.71 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160311838-A1 PHOSPHOHISTIDINE MIMETICS AND ANTIBODIES TO SAME THE TRUSTEES OF PRINCETON UNIVERSITY 2016-10-27 — — 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-20160311838-A1 PHOSPHOHISTIDINE MIMETICS AND ANTIBODIES TO SAME PHPT1, CD4, HCLS1 L3MBTL1 4199/4885ALDH1A1 4535/4885MAPT 996/4885

“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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