SCHEMBL13352155

SCHEMBL13352155

COc1ccc(CCC(=O)Nc2ccccc2C)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
P2RX7 Q99572 1/20 0.60
KMT2A Q03164 5/20 0.59
HPGD P15428 2/20 0.59
MEN1 O00255 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
LTB4R Q15722 1/20 0.55
REN P00797 1/20 0.55
CTSD P07339 1/20 0.55

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
SCHEMBL8637193 0.86 KMT2A (0.60) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL2845251 0.85 HCAR2 (0.71) ALDH1A1KMT2ASMN1; SMN2LTB4R
SCHEMBL9973826 0.85 KDM4E (0.70) ALDH1A1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL14021040 0.84 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL20106688 0.83 HCAR2 (0.56) ALDH1A1KMT2AGAASMN1; SMN2CYP3A4
SCHEMBL14227339 0.82 POLB (0.59) ALDH1A1KMT2AHPGDMEN1GAA
SCHEMBL16215170 0.82 KDM4E (0.59) ALDH1A1KMT2AMEN1GAASMN1; SMN2
SCHEMBL14227341 0.80 POLB (0.57) ALDH1A1KMT2AHPGDMEN1GAA
SCHEMBL14227338 0.80 HCAR2 (0.57) ALDH1A1HPGDPOLBHDAC1HDAC2
SCHEMBL18760165 0.80 NPC1 (0.67) ALDH1A1KMT2AMEN1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130497-A1 Therapeutic Compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2010-05-27 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-20100130497-A1 Therapeutic Compounds NFATC1, NAT1, AADAC ALDH1A1 199/4885P2RX7 4200/4885KMT2A 1798/4885

“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.