SCHEMBL13542004

SCHEMBL13542004

O=C(c1[nH]nc2c1COc1ccccc1-2)C1CO1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
KDM4E B2RXH2 3/20 0.72
ALPL P05186 2/20 0.72
HSD17B10 Q99714 1/20 0.72
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.40
NR1H4 Q96RI1 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
THRB P10828 1/20 0.39
GSR P00390 2/20 0.37
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PIK3R5 Q8WYR1 1/20 0.35
PIK3R3 Q92569 1/20 0.35

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
SCHEMBL646283 0.84 KDM4E (1.00) ALDH1A1KDM4EALPLHSD17B10KMT2A
SCHEMBL28898102 0.83 ALPL (0.78) ALDH1A1KDM4EALPLHSD17B10KMT2A
SCHEMBL13539296 0.83 ALPL (0.78) ALDH1A1KDM4EALPLHSD17B10KMT2A
SCHEMBL13539297 0.78 ALPL (1.00) ALDH1A1KDM4EALPLHSD17B10KMT2A
SCHEMBL13539303 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EALPLHSD17B10KMT2A
SCHEMBL10176736 0.72 ALPL (0.61) ALDH1A1KDM4EALPLHSD17B10KMT2A
SCHEMBL4149139 0.69 ALPL (0.67) ALDH1A1KDM4EALPLHSD17B10KMT2A
SCHEMBL3928928 0.68 ALPL (0.65) ALDH1A1KDM4EALPLHSD17B10KMT2A
SCHEMBL2171482 0.65 KDM4E (0.59) ALDH1A1KDM4EALPLHSD17B10KMT2A
SCHEMBL9780123 0.64 ALDH1A1 (0.51) ALDH1A1KDM4EALPLHSD17B10KMT2A

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-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 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-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF ALPI, SI, FABP2 ALDH1A1 2169/4885KDM4E 2989/4885ALPL 5/4885

“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.