SCHEMBL17829966

SCHEMBL17829966

COCCOCC(=O)n1cc(-c2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.35
AKR1C2 P52895 4/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
EPHX2 P34913 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN9A Q15858 1/20 0.34
PTGER4 P35408 1/20 0.34
AKR1C4 P17516 1/20 0.33
PTGS1 P23219 1/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
MALT1 Q9UDY8 1/20 0.33
ALPL P05186 1/20 0.32
RARG P13631 2/20 0.32

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
SCHEMBL17829607 0.82 MAP3K14 (0.44) AKR1C3AKR1C2LMNASCN9AMAPT
SCHEMBL17825526 0.80 MAPT (0.38) AKR1C3AKR1C2SCN9AMAPTMAPK1
SCHEMBL17818481 0.79 ALDH1A1 (0.36) AKR1C3AKR1C2SCN9AMAPTMAPK1
Hydrochloric Acid SCHEMBL17818452 0.79 MAPT (0.37) AKR1C3AKR1C2SCN9AMAPTMAPK1
SCHEMBL17818489 0.76 MAPT (0.40) AKR1C3AKR1C2SCN9AMAPTMAPK1
SCHEMBL17829608 0.75 AKR1C3 (0.42) AKR1C3AKR1C2SCN9AMAPTMAPK1
SCHEMBL17818457 0.75 HTR6 (0.38) MAPK1
SCHEMBL17831851 0.75 FNTA (0.39) HPGDLMNASMN1; SMN2MAPT
SCHEMBL17831847 0.73 AKR1C3 (0.41) AKR1C3AKR1C2SCN9AMAPTMAPK1
SCHEMBL17829967 0.73 KDM4E (0.37) AKR1C3AKR1C2SCN9AMAPTMAPK1

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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 AKR1C3 4463/4885AKR1C2 4279/4885MAPK8 445/4885

“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.