SCHEMBL20199299

SCHEMBL20199299

Brc1cccc2c1-c1ccccc1C21c2ccccc2-c2c1oc1ccccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.42
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NTRK1 P04629 1/20 0.31
PLK3 Q9H4B4 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL20175197 0.90 PDK2 (0.37) PDK2
SCHEMBL20174745 0.86 NTRK1 (0.37) MAOANTRK1PLK3
SCHEMBL20174690 0.82 PDK2 (0.41) PDK2MAOAMAOBNTRK1PLK3
SCHEMBL16491720 0.81 PDK2 (0.40) PDK2MAOAMAOBNTRK1PLK3
SCHEMBL20174706 0.81 PDK2 (0.40) PDK2CA1CA2
SCHEMBL16491662 0.80 PDK2 (0.40) PDK2MAOAMAOB
SCHEMBL16855614 0.79 ALOX5 (0.40) PDK2MAOAMAOB
SCHEMBL17883218 0.79 PDK2 (0.39) PDK2MAOAMAOB
SCHEMBL16491899 0.79 AHR (0.41) PDK2MAOAMAOBNTRK1PLK3
SCHEMBL29603205 0.78 PDK2 (0.58) PDK2CA1CA2CA7CA9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-05-31 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-20180148639-A1 SPIRO COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, NR2E3, ERG PDK2 651/4885MAOA 3325/4885MAOB 2875/4885

“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.