SCHEMBL17050830

SCHEMBL17050830

CCOc1ccc(Oc2ccc(CBr)cn2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.52
ACACA Q13085 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
CSNK2A1 P68400 2/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL17050832 0.87 ACACB (0.57) ACACBACACACYP3A4CYP2C9MAPK1
SCHEMBL17050453 0.84 ACACB (0.53) ACACBACACACYP3A4CYP2C9MAPK1
SCHEMBL17050833 0.82 ACACB (0.46) ACACBACACACYP3A4CYP2C9MAPK1
SCHEMBL17050837 0.80 ACACB (0.62) ACACBACACACYP3A4CYP2C9MAPK1
SCHEMBL8025062 0.78 HAO1 (0.48) KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL17050518 0.74 ACACB (0.70) ACACBACACACYP3A4CYP2C9MAPT
SCHEMBL9503543 0.74 MAPT (0.49) ACACBMAPTCSNK2A1GLASMN1; SMN2
SCHEMBL8026494 0.73 L3MBTL1 (0.44) KMT2AKDM4EL3MBTL1
SCHEMBL17050840 0.72 ACACB (0.68) ACACBACACACYP3A4CYP2C9MAPT
SCHEMBL17050834 0.72 ACACB (0.71) ACACBACACACYP3A4CYP2C9POLB

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 2/4885ACACA 10/4885CYP3A4 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.