SCHEMBL17192800

SCHEMBL17192800

O=Cc1ccc(N2Cc3ccccc3C2)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 6/20 0.66
▸ ALDH3A1 P30838 1/20 0.60
▸ ALDH1A1 P00352 9/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ GRM1 Q13255 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ CCR3 P51677 1/20 0.40
▸ TIPARP Q7Z3E1 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL18519816 0.80 ALDH1A3 (1.00) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL29417647 0.80 ALDH1A3 (1.00) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL11305457 0.78 ALDH1A3 (0.96) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5923918 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GRM1MAPTHPGD
SCHEMBL30358126 0.77 ALDH1A1 (0.67) ALDH1A3ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL18155343 0.77 ALDH1A1 (0.67) ALDH1A3ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL4944339 0.75 ALDH1A3 (0.73) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL15093728 0.75 ALDH1A3 (1.00) ALDH1A3ALDH3A1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17191282 0.75 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GRM1MAPTHPGD
SCHEMBL10975999 0.72 MEN1 (0.57) ALDH1A1SMN1; SMN2MAPTHPGDMEN1

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-9468632-B2 Methods and compositions for targeting cancer stem cells THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-18 — — US disclosed
US-20150297577-A1 METHODS AND COMPOSITIONS FOR TARGETING CANCER STEM CELLS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-10-22 — — 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-20150297577-A1 METHODS AND COMPOSITIONS FOR TARGETING CANCER STEM CELLS MCL1, CD44, TP53 ALDH1A3 418/4885ALDH3A1 1027/4885ALDH1A1 268/4885

“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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