SCHEMBL17808124

SCHEMBL17808124

CC1(C)C(=O)Cc2ccc(Br)cc2C1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.44
AHR P35869 1/20 0.44
TDP2 O95551 3/20 0.42
METAP1 P53582 1/20 0.40
BRD4 O60885 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
KDM1A O60341 1/20 0.34
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TYMS P04818 1/20 0.33
PGR P06401 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
SCHEMBL28103402 0.74 CMA1 (0.42) CMA1AHRTDP2METAP1BRD4
SCHEMBL7796330 0.73 CMA1 (0.47) CMA1AHRTDP2METAP1BRD4
SCHEMBL17430723 0.69 PDK2 (0.44) TDP2METAP1KDM1APGR
SCHEMBL10148344 0.67 METAP1 (0.41) CMA1AHRTDP2METAP1BRD4
SCHEMBL27410273 0.67 KDM4E (0.44) CMA1AHRTDP2METAP1BRD4
SCHEMBL9860146 0.66 CMA1 (0.40) CMA1AHRTDP2BRD4BACE1
SCHEMBL9860639 0.66 CMA1 (0.40) CMA1AHRTDP2BRD4BACE1
SCHEMBL27287933 0.66 TDP1 (0.41) CMA1AHRTDP2METAP1BRD4
SCHEMBL23671523 0.65 TDP2 (0.41) CMA1AHRTDP2METAP1BRD4
SCHEMBL20534501 0.64 CMA1 (0.39) CMA1AHRTDP2METAP1BRD4

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-20180002346-A1 AZOLOBENZAZINE COMPOUNDS, COMPOSITIONS COMPRISING THESE COMPOUNDS AND THEIR USE FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2018-01-04 US disclosed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 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 (2 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-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 CMA1 1645/4885AHR 306/4885TDP2 2922/4885
US-20180002346-A1 AZOLOBENZAZINE COMPOUNDS, COMPOSITIONS COMPRISING THESE COMPOUNDS AND THEIR USE FOR CONTROLLING INVERTEBRATE PESTS DDT, CRY1, TH CMA1 1432/4885AHR 51/4885TDP2 795/4885

“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.