SCHEMBL17084530

SCHEMBL17084530

COCc1ccc2cc(C)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.54
CYP1A2 P05177 4/20 0.54
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
PTPN1 P18031 1/20 0.42
CA2 P00918 1/20 0.41
MAOB P27338 2/20 0.41
AGXT P21549 2/20 0.39
IDO1 P14902 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PTGS1 P23219 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MAOA P21397 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL29871774 0.89 LMNA (0.50) CYP2A6CYP1A2LMNATP53PTPN1
SCHEMBL4194127 0.89 LMNA (0.50) CYP2A6CYP1A2LMNATP53PTPN1
SCHEMBL21675665 0.85 PTPN1 (0.49) CYP2A6CYP1A2LMNATP53PTPN1
SCHEMBL7843853 0.84 AKR1B1 (0.41) CYP2A6CYP1A2LMNATP53PTPN1
SCHEMBL18716081 0.82 LMNA (0.49) CYP2A6CYP1A2LMNATP53PTPN1
SCHEMBL8188647 0.82 AKR1B1 (0.39) CYP2A6CYP1A2LMNATP53PTPN1
SCHEMBL14201539 0.82 CYP2A6 (0.52) CYP2A6CYP1A2TDP1MAOBAGXT
SCHEMBL14016921 0.81 CYP1A2 (0.59) CYP2A6CYP1A2LMNATP53PTPN1
SCHEMBL241798 0.81 CYP1A2 (0.59) CYP2A6CYP1A2LMNATP53PTPN1
SCHEMBL18636418 0.79 CYP1A2 (0.52) CYP2A6CYP1A2LMNATP53PTPN1

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-9815823-B2 Carbazole ketoxime ester high-photosensitivity photoinitiator CHANGZHOU TRONLY ADVANCED ELECTRONIC MATERIALS CO., LTD. (CN) 2017-11-14 US disclosed
US-9656978-B2 Acylpiperazines as inhibitors of transglutaminase and their use in medicine ASTON UNIVERSITY (GB) 2017-05-23 US disclosed
US-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ASTON UNIVERSITY (GB) 2015-09-17 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-20150259310-A1 Acylpiperazines as Inhibitors of Transglutaminase and Their Use in Medicine ENPEP, ENPP2, MMP17 CYP2A6 998/4885CYP1A2 283/4885TDP1 997/4885

“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.