SCHEMBL17050833

SCHEMBL17050833

CCOc1ccc(Oc2ccc(CP(Br)(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.46
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
ACACA Q13085 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
GRM8 O00222 1/20 0.34
GRM7 Q14831 1/20 0.34
GRM4 Q14833 1/20 0.34
PPARA Q07869 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
LTA4H P09960 1/20 0.33

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
SCHEMBL17050830 0.82 ACACB (0.52) ACACBMAPK1CYP3A4CYP2C9ACACA
SCHEMBL17050832 0.79 ACACB (0.57) ACACBMAPK1CYP3A4CYP2C9ACACA
SCHEMBL17050453 0.77 ACACB (0.53) ACACBMAPK1CYP3A4CYP2C9ACACA
SCHEMBL17050837 0.72 ACACB (0.62) ACACBMAPK1CYP3A4CYP2C9ACACA
SCHEMBL17050518 0.67 ACACB (0.70) ACACBCYP3A4CYP2C9ACACAMAPT
SCHEMBL14417672 0.67 CSNK2A1 (0.55) KMT2APPARA
SCHEMBL9503543 0.67 MAPT (0.49) ACACBL3MBTL1MAPTATMLTA4H
SCHEMBL28496200 0.67 SIGMAR1 (0.40) HPGDL3MBTL1KMT2AMAPT
SCHEMBL14439513 0.66 TSHR (0.42) KMT2AMAPT
SCHEMBL17050840 0.66 ACACB (0.68) ACACBCYP3A4CYP2C9ACACAMAPT

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 ACACB 2/4885MAPK1 2691/4885CYP3A4 589/4885

“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.