SCHEMBL16118331

SCHEMBL16118331

COc1cccc(N=Cc2ccc(C=Nc3cccc(OC)c3)o2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
RECQL P46063 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 3/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
GAA P10253 1/20 0.51
POLB P06746 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47

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
SCHEMBL16118367 0.93 MAPT (0.49) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL16118342 0.91 MEN1 (0.50) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL14832001 0.83 TDP1 (0.51) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL14832002 0.83 TDP1 (0.51) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL14833608 0.82 CYP1A2 (0.49) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL14833609 0.82 CYP1A2 (0.49) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL11411206 0.81 CYP1A2 (0.65) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL20871097 0.81 CYP1A2 (0.60) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL14831316 0.81 CYP1A2 (0.65) CYP1A2CYP3A4RECQLTDP1HDAC6
SCHEMBL17371004 0.79 ALDH1A1 (0.69) CYP1A2CYP3A4TDP1MEN1KMT2A

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-9556137-B2 Methods for preparing alkylfurans MICROMIDAS, INC. (US) 2017-01-31 US disclosed
US-20150376153-A1 METHODS FOR PREPARING ALKYLFURANS MICROMIDAS, INC. (US) 2015-12-31 US disclosed
WO-2014151100-A1 METHODS FOR PREPARING ALKYLFURANS MICROMIDAS, INC. (US) 2014-09-25 WO 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-20150376153-A1 METHODS FOR PREPARING ALKYLFURANS ALKBH5, ALKBH2, ALKBH1 CYP1A2 123/4885CYP3A4 180/4885RECQL 2001/4885

“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.