SCHEMBL19869596

SCHEMBL19869596

Brc1ccc2c(c1)C=Cc1ccccc1C21c2ccccc2-c2cc3c4ccccc4c4ccccc4c3cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
OPRK1 P41145 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19869586 0.92 PDK2 (0.38) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL19869584 0.89 PDK2 (0.39) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL19863940 0.89 PDK2 (0.41) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL20173169 0.87 PDK2 (0.41) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL17929491 0.87 PDK2 (0.41) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL20225274 0.86 PDK2 (0.40) PDK2KDM4EMEN1LMNAMAPT
SCHEMBL19862371 0.85 AHR (0.38) PDK2KDM4EMEN1MAPTKMT2A
SCHEMBL19862378 0.84 ALDH1A1 (0.36) PDK2MAPTSMN1; SMN2
SCHEMBL19862351 0.84 AHR (0.37) PDK2KDM4EMEN1MAPTKMT2A
SCHEMBL19862365 0.84 ALDH1A1 (0.34) PDK2MAPTSMN1; SMN2

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-10693075-B2 Spiro compound and organic electronic device comprising the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2020-06-23 US disclosed
US-20180047907-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
US-20180047907-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 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 (2 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-10693075-B2 Spiro compound and organic electronic device comprising the same ESRRA, REN, ESRRB PDK2 1145/4885KDM4E 1852/4885MEN1 2448/4885
US-20180047907-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME CNKSR1, CBX4, RBX1 PDK2 2859/4885KDM4E 509/4885MEN1 2204/4885

“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.