SCHEMBL814384

SCHEMBL814384

O=CCC(CC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.54
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
PTPN1 P18031 2/20 0.46
HPGD P15428 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL809740 1.00 ATM (0.58) ATML3MBTL1TSHRNPSR1KDM4E
SCHEMBL812068 0.91 ATM (0.49) ATML3MBTL1TSHRMAPTALDH1A1
SCHEMBL809667 0.91 ATM (0.49) ATML3MBTL1TSHRMAPTALDH1A1
SCHEMBL809581 0.89 ATM (0.51) ATML3MBTL1NPSR1MAPTSMN1; SMN2
SCHEMBL812397 0.89 ATM (0.51) ATML3MBTL1NPSR1MAPTSMN1; SMN2
SCHEMBL813028 0.85 L3MBTL1 (0.48) ATML3MBTL1TSHRNPSR1KDM4E
SCHEMBL809676 0.85 L3MBTL1 (0.48) ATML3MBTL1TSHRNPSR1KDM4E
SCHEMBL812734 0.85 L3MBTL1 (0.70) ATML3MBTL1NPSR1MAPTSMN1; SMN2
SCHEMBL809823 0.85 L3MBTL1 (0.70) ATML3MBTL1NPSR1MAPTSMN1; SMN2
SCHEMBL9066674 0.85 ATM (0.74) ATML3MBTL1TSHRNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN claimed
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 ATM 3038/4885L3MBTL1 3514/4885TSHR 414/4885

“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.