SCHEMBL17050822

SCHEMBL17050822

CCC(=O)c1ccc(Oc2ccc(Br)cn2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GRM8 O00222 1/20 0.39
GRM7 Q14831 1/20 0.39
GRM4 Q14833 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 3/20 0.39

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
SCHEMBL17050816 0.77 L3MBTL1 (0.42) TSHRMEN1KMT2AGRM8GRM7
SCHEMBL17050453 0.77 ACACB (0.53) ACACBTSHRMEN1KMT2APOLB
SCHEMBL17050451 0.76 L3MBTL1 (0.41) ACACBTSHRMEN1KMT2AGRM8
SCHEMBL17050471 0.76 ACACB (0.55) ACACBTSHRSMN1; SMN2KDM4E
SCHEMBL17050814 0.74 ACACB (0.52) ACACBTHRBTSHRMEN1KMT2A
SCHEMBL17050452 0.74 MAPK8 (0.43) ACACBTHRBMEN1KMT2ASMN1; SMN2
SCHEMBL17050461 0.73 SLC6A4 (0.41) ACACBKDM4E
SCHEMBL17050467 0.73 KDM4E (0.43) TSHRMEN1KMT2AGRM8GRM7
SCHEMBL28888225 0.73 THRA (0.64) THRATHRBTSHRMEN1KMT2A
SCHEMBL17050815 0.73 L3MBTL1 (0.48) ACACBTHRBTSHRMEN1KMT2A

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 2/4885THRA 3210/4885THRB 1797/4885

“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.