SCHEMBL3222985

SCHEMBL3222985

O=C1c2ccccc2OC1(O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TSHR P16473 2/20 0.48
ALOX12 P18054 2/20 0.48
RECQL P46063 2/20 0.48
EHMT2 Q96KQ7 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CA7 P43166 1/20 0.48
BACE1 P56817 1/20 0.48
CA9 Q16790 1/20 0.48
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
MAPT P10636 5/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.38
APAF1 O14727 2/20 0.37
TDP2 O95551 2/20 0.37

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
SCHEMBL15101248 0.76 ALDH1A1 (0.41) ALDH1A1L3MBTL1TSHRALOX12RECQL
SCHEMBL68917 0.74 ALDH1A1 (0.50) ALDH1A1L3MBTL1TSHRALOX12RECQL
SCHEMBL6630050 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1TSHRALOX12RECQL
SCHEMBL727643 0.74 MAPT (0.40) ALDH1A1L3MBTL1TSHRALOX12RECQL
SCHEMBL11154239 0.72 ALDH1A1 (0.46) ALDH1A1L3MBTL1TSHRALOX12RECQL
SCHEMBL4226505 0.72 ALDH1A1 (0.43) ALDH1A1L3MBTL1TSHRALOX12RECQL
SCHEMBL7049756 0.70 ALDH1A1 (0.42) ALDH1A1L3MBTL1TSHRALOX12RECQL
SCHEMBL24043402 0.69 ALDH1A1 (0.43) ALDH1A1RECQLMAPK1MAPTHPGD
SCHEMBL2838578 0.69 ATM (0.48) ALDH1A1MAPTMAOBRAD52KDM4E
SCHEMBL28202516 0.69 ALDH1A1 (0.47) ALDH1A1L3MBTL1TSHRALOX12RECQL

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-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2010-03-11 US disclosed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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 (2 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 ALDH1A1 2736/4885L3MBTL1 4147/4885TSHR 3312/4885
US-20100061982-A1 3-SUBSTITUTED-1H-INDOLE, 3-SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE AND 3-SUBSTITUTED-1H-PYRROLO[3,2-B]PYRIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PDPK1, RICTOR ALDH1A1 3178/4885L3MBTL1 4666/4885TSHR 3065/4885

“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.