SCHEMBL19862350

SCHEMBL19862350

OC1(c2ccccc2-c2ccc3oc4ccccc4c3c2)c2ccccc2C=Cc2cc(Br)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
ALOX5 P09917 1/20 0.34
IDO1 P14902 1/20 0.34
TNKS O95271 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NMUR2 Q9GZQ4 2/20 0.32
PDK2 Q15119 1/20 0.32
GABRP O00591 3/20 0.31
GABRD O14764 3/20 0.31
GABRA1 P14867 3/20 0.31
GABRB1 P18505 3/20 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
SCHEMBL19862354 0.94 HSP90AA1 (0.35) HSP90AA1HSP90AB1ALOX5IDO1TNKS
SCHEMBL19862355 0.91 HSP90AA1 (0.36) HSP90AA1HSP90AB1ALOX5IDO1TNKS
SCHEMBL19862361 0.87 ALOX5 (0.34) ALOX5IDO1TNKSKDM4EMEN1
SCHEMBL19395180 0.84 PDK2 (0.42) HSP90AA1HSP90AB1ALOX5IDO1TNKS
SCHEMBL19395177 0.84 PDK2 (0.42) HSP90AA1HSP90AB1ALOX5IDO1TNKS
SCHEMBL17879494 0.82 ALOX5 (0.44) HSP90AA1HSP90AB1ALOX5KDM4EMEN1
SCHEMBL19862364 0.80 ALOX5 (0.34) ALOX5ALDH1A1MAPTPDK2
SCHEMBL19863939 0.80 PDK2 (0.39) ALDH1A1PDK2
SCHEMBL19869583 0.79 PDK2 (0.38) PDK2
SCHEMBL19862356 0.78 PDK2 (0.38) IDO1NMUR2PDK2GABRPGABRD

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-10454039-B2 Compound and organic electronic device using the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2019-10-22 US disclosed
US-20180047918-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-02-15 US disclosed
US-20180047918-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-20180047918-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME ORC3, AOX1, RCOR3 HSP90AA1 4771/4885HSP90AB1 4758/4885ALOX5 4218/4885
US-10454039-B2 Compound and organic electronic device using the same ORC3, AOX1, RCOR3 HSP90AA1 4771/4885HSP90AB1 4758/4885ALOX5 4218/4885

“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.