SCHEMBL14508322

SCHEMBL14508322

CC1(C)c2cc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccccc5Br)ccc3-4)ccc2-c2ccc(-c3ccccc3Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
PDK2 Q15119 17/20 0.39
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL29577059 0.95 ALDH1A1 (0.44) ALDH1A1MAPK1PDK2NPC1RAB9A
SCHEMBL14508335 0.95 ALDH1A1 (0.44) ALDH1A1MAPK1PDK2NPC1RAB9A
SCHEMBL29789018 0.95 ALDH1A1 (0.44) ALDH1A1MAPK1PDK2NPC1RAB9A
SCHEMBL29789014 0.85 PDK2 (0.47) ALDH1A1MAPK1PDK2NPC1RAB9A
SCHEMBL14508337 0.85 PDK2 (0.47) ALDH1A1MAPK1PDK2NPC1RAB9A
SCHEMBL25818397 0.85 PDK2 (0.41) ALDH1A1MAPK1PDK2
SCHEMBL31461588 0.84 ALDH1A1 (0.44) ALDH1A1MAPK1PDK2NPC1RAB9A
SCHEMBL19869566 0.84 ALDH1A1 (0.44) ALDH1A1MAPK1PDK2NPC1RAB9A
SCHEMBL14508340 0.83 PDK2 (0.44) ALDH1A1MAPK1PDK2
SCHEMBL1649136 0.83 PDK2 (0.47) PDK2

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-20070122652-A1 Compound and organic electroluminescent device using same CANON KABUSHIKI KAISHA (JP) 2007-05-31 US disclosed
US-20070122652-A1 Compound and organic electroluminescent device using same CANON KABUSHIKI KAISHA (JP) 2007-05-31 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-20070122652-A1 Compound and organic electroluminescent device using same OR10J3, LEF1, RPL19 ALDH1A1 1832/4885MAPK1 942/4885PDK2 3230/4885

“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.