SCHEMBL3240401

SCHEMBL3240401

C[C@@H](O)C=Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
CYP1A2 P05177 2/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
AHR P35869 1/20 0.47
MAOB P27338 1/20 0.46
HTR2A P28223 3/20 0.45
GLA P06280 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43

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
SCHEMBL2946722 1.00 MAPT (0.48) MAPTALDH1A1CYP3A4KDM4ECTDSP1
SCHEMBL2946721 1.00 MAPT (0.48) MAPTALDH1A1CYP3A4KDM4ECTDSP1
SCHEMBL295663 1.00 MAPT (0.48) MAPTALDH1A1CYP3A4KDM4ECTDSP1
SCHEMBL3240389 1.00 MAPT (0.48) MAPTALDH1A1CYP3A4KDM4ECTDSP1
SCHEMBL11960058 1.00 MAPT (0.48) MAPTALDH1A1CYP3A4KDM4ECTDSP1
SCHEMBL295662 1.00 MAPT (0.48) MAPTALDH1A1CYP3A4KDM4ECTDSP1
Ammonia Solution, Strong SCHEMBL27542434 0.96 MAPT (0.46) MAPTALDH1A1CYP3A4KDM4ECTDSP1
Bicarbonate SCHEMBL7194541 0.94 CYP1A2 (0.53) MAPTALDH1A1CYP3A4KDM4ECTDSP1
SCHEMBL11807539 0.87 CA1 (0.50) MAPTALDH1A1CYP3A4KDM4ECTDSP1
SCHEMBL11807547 0.87 CA1 (0.50) MAPTALDH1A1CYP3A4KDM4ECTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243543-A1 IRON(II) CATALYSTS CONTAINING DIIMINO-DIPHOSPHINE TETRADENTATE LIGANDS AND THEIR SYNTHESIS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2014-08-28 US disclosed
US-8716507-B2 Iron(II) catalysts containing diimino-diphosphine tetradentate ligands and their synthesis THE GOVERNING COUNCIL OF UNIVERSITY OF TORONTO (CA) 2014-05-06 US disclosed
US-20100145087-A1 IRON(II) CATALYSTS CONTAINING DIIMINO-DIPHOSPHINE TETRADENTATE LIGANDS AND THEIR SYNTHESIS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2010-06-10 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-20100145087-A1 IRON(II) CATALYSTS CONTAINING DIIMINO-DIPHOSPHINE TETRADENTATE LIGANDS AND THEIR SYNTHESIS FTH1, FECH, IDH1 MAPT 3734/4885ALDH1A1 566/4885CYP3A4 2366/4885

“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.