SCHEMBL19768486

SCHEMBL19768486

CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4ccc5ccc6ccc(-c7ccc(-c8nc9ccccc9nc8-c8cccnc8)cc7)nc6c5n4)c3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.42
CYP11B1 P15538 3/20 0.36
CYP17A1 P05093 2/20 0.36
CYP19A1 P11511 2/20 0.36
CYP11B2 P19099 2/20 0.36
PGR P06401 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
RAD51 Q06609 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DHODH Q02127 1/20 0.33
LCK P06239 1/20 0.33
CYP2A6 P11509 1/20 0.33
BACE1 P56817 1/20 0.32
KCNH2 Q12809 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL19768223 0.89 ALDH1A1 (0.40) PDK2ALDH1A1GAAKDM4ERAB9A
SCHEMBL19767975 0.86 PDK2 (0.48) PDK2CYP11B1CYP17A1CYP19A1CYP11B2
SCHEMBL19768399 0.86 PDK2 (0.39) PDK2ALDH1A1KDM4EMAPTTSHR
SCHEMBL13726215 0.84 PDK2 (0.49) PDK2CYP11B1CYP17A1CYP19A1CYP11B2
SCHEMBL21103642 0.84 PDK2 (0.39) PDK2RAB9A
SCHEMBL19768405 0.84 PDK2 (0.39) PDK2CYP11B1CYP17A1CYP19A1CYP11B2
SCHEMBL19768177 0.83 USP1 (0.38) PDK2ALDH1A1KDM4EMAPTTSHR
SCHEMBL13728438 0.83 PDK2 (0.49) PDK2CYP11B1CYP17A1CYP19A1CYP11B2
SCHEMBL21103669 0.83 PDK2 (0.41) PDK2CYP11B1CYP11B2RAB9A
SCHEMBL19777598 0.82 CYP11B1 (0.38) CYP11B1DHODH

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-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT TORAY INDUSTRIES, INC (JP) 2018-01-18 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-20180019407-A1 PHENANTHROLINE DERIVATIVE, ELECTRONIC DEVICE CONTAINING SAME, LIGHT EMITTING ELEMENT, AND PHOTOELECTRIC CONVERSION ELEMENT SUN2, PAH, FARS2 PDK2 141/4885CYP11B1 1041/4885CYP17A1 2813/4885

“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.