SCHEMBL19869579

SCHEMBL19869579

OC1(c2ccccc2-c2cc3ccccc3c3ccccc23)c2cc(Br)ccc2C=Cc2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.43
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ TRPM4 Q8TD43 1/20 0.33
▸ NQO1 P15559 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ CYP2A6 P11509 1/20 0.31
▸ PIM1 P11309 1/20 0.30
▸ PARP1 P09874 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
SCHEMBL19869575 0.97 PDK2 (0.41) PDK2MEN1KMT2ARXFP1ALDH1A1
SCHEMBL19869570 0.88 PDK2 (0.43) PDK2MEN1KMT2ARXFP1OPRM1
SCHEMBL19395213 0.88 PDK2 (0.49) PDK2MEN1KMT2ARXFP1ALDH1A1
SCHEMBL19395211 0.88 PDK2 (0.49) PDK2MEN1KMT2ARXFP1ALDH1A1
SCHEMBL19869569 0.86 PDK2 (0.42) PDK2MEN1KMT2ARXFP1OPRM1
SCHEMBL17656822 0.83 ALDH1A1 (0.46) PDK2MEN1KMT2AALDH1A1HPGD
SCHEMBL19869588 0.82 PDK2 (0.40) PDK2MEN1KMT2ARXFP1OPRM1
SCHEMBL19869583 0.80 PDK2 (0.38) PDK2OPRM1OPRD1
SCHEMBL19846172 0.79 PDK2 (0.44) PDK2ALDH1A1MAPK1OPRM1OPRD1
SCHEMBL19869581 0.78 PDK2 (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180047907-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME CNKSR1, CBX4, RBX1 PDK2 2859/4885MEN1 2204/4885KMT2A 981/4885

“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.

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