SCHEMBL19862139

SCHEMBL19862139

C1=Cc2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccnc5)nc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1c2ccc2c1oc1ccccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DHODH Q02127 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 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
SCHEMBL19862128 0.98 PDK2 (0.32) PDK2HDAC6DHODHALDH1A1MAPT
SCHEMBL19862147 0.97 KMT2A (0.33) PDK2HDAC6DHODHALDH1A1MAPT
SCHEMBL19862149 0.96 PDK2 (0.35) PDK2DHODHALDH1A1MAPTHSD17B10
SCHEMBL19862201 0.94 DHODH (0.35) PDK2DHODHALDH1A1MAPTHSD17B10
SCHEMBL19862118 0.93 ALDH1A1 (0.35) PDK2DHODHALDH1A1MAPTHSD17B10
SCHEMBL19862106 0.92 DHODH (0.35) PDK2DHODHALDH1A1MAPTHSD17B10
SCHEMBL19862129 0.92 DHODH (0.35) PDK2DHODHALDH1A1MAPTHSD17B10
SCHEMBL19862255 0.91 HDAC6 (0.33) PDK2HDAC6DHODHGPR84CYP19A1
SCHEMBL20224310 0.91 PDK2 (0.34) PDK2HDAC6DHODHALDH1A1MAPT
SCHEMBL19862105 0.90 ALDH1A1 (0.35) PDK2DHODHALDH1A1MAPTHSD17B10

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 PDK2 2964/4885HDAC6 4582/4885DHODH 1612/4885
US-10454039-B2 Compound and organic electronic device using the same ORC3, AOX1, RCOR3 PDK2 2964/4885HDAC6 4582/4885DHODH 1612/4885

“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.