SCHEMBL17050831

SCHEMBL17050831

COc1ccc(Oc2ccc(C=O)cn2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 8/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ACACB O00763 4/20 0.50
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 1/20 0.46
ACACA Q13085 1/20 0.46
MAPT P10636 4/20 0.45
FDPS P14324 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
S1PR4 O95977 1/20 0.43
CYP1A2 P05177 2/20 0.43
HPGD P15428 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL17050837 0.88 ACACB (0.62) KDM4EALDH1A1L3MBTL1ACACBCYP2C9
SCHEMBL17050839 0.81 TTR (0.48) KDM4EALDH1A1L3MBTL1ACACBCYP2C9
SCHEMBL8016820 0.80 KDM4E (0.77) KDM4EALDH1A1L3MBTL1CYP2C9MAPT
SCHEMBL17050452 0.80 MAPK8 (0.43) KDM4EALDH1A1L3MBTL1ACACBCYP2C9
SCHEMBL8006810 0.79 ALDH1A1 (0.61) KDM4EALDH1A1L3MBTL1ACACBMAPT
SCHEMBL21328359 0.79 MAPT (0.68) KDM4EALDH1A1L3MBTL1CYP2C9MAPT
SCHEMBL16838779 0.78 KDM4E (0.65) KDM4EALDH1A1L3MBTL1ACACBMAPT
SCHEMBL3692188 0.78 AR (0.45) KDM4EALDH1A1L3MBTL1ACACBCYP2C9
SCHEMBL16838772 0.78 ALDH1A1 (0.65) KDM4EALDH1A1L3MBTL1MAPTFDPS
SCHEMBL21902104 0.77 KMT2A (0.56) KDM4EALDH1A1L3MBTL1CYP2C9MAPT

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-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 US disclosed
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 KDM4E 2675/4885ALDH1A1 408/4885L3MBTL1 3849/4885

“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.