SCHEMBL4333779

SCHEMBL4333779

C=CCc1ccccc1C(=O)O.[Al].[Zr]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.52
ALDH1A1 P00352 5/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.46
MAPT P10636 3/20 0.45
POLB P06746 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
CYP3A4 P08684 1/20 0.43
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HMGB1 P09429 1/20 0.42
HPGD P15428 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 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
SCHEMBL89060 0.96 FOLH1 (0.55) FOLH1ALDH1A1ALOX15TSHRKMT2A
Benzene SCHEMBL27083018 0.96 FOLH1 (0.55) FOLH1ALDH1A1ALOX15TSHRKMT2A
Phosphine SCHEMBL28264956 0.94 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRKMT2A
Ammonia Solution, Strong SCHEMBL9940062 0.94 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRKMT2A
Ammonia Solution, Strong SCHEMBL16531812 0.94 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRKMT2A
Hydrochloric Acid SCHEMBL7974299 0.94 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRKMT2A
Potassium SCHEMBL16531822 0.94 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRKMT2A
SCHEMBL11094883 0.94 FOLH1 (0.53) FOLH1ALDH1A1ALOX15TSHRKMT2A
SCHEMBL3805421 0.87 AKR1C3 (0.48) FOLH1ALDH1A1ALOX15TSHRKMT2A
SCHEMBL474921 0.84 GABRA1 (0.47) FOLH1ALDH1A1TSHRKMT2AMAPT

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-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US claimed
US-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 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-20090192176-A1 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, PIK3CA, PIK3CD FOLH1 2824/4885ALDH1A1 3052/4885ALOX15 3531/4885

“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.