SCHEMBL17405702

SCHEMBL17405702

c1cc(-c2ccc3c4c(cccc24)-c2ccccc2-3)cc(-n2c3ccccc3c3c4c5ccccc5sc4c4c5ccccc5sc4c32)c1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.32
F9 P00740 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
SCHEMBL17405412 0.98 ALOX5 (0.34) ALOX5MAPTRXFP1TP53F9
SCHEMBL19985952 0.95 ALOX5 (0.34) ALOX5MAPTRXFP1TP53
SCHEMBL16275544 0.94 ALOX5 (0.35) ALOX5MAPTRXFP1TP53F9
SCHEMBL17406040 0.94 ALOX5 (0.33) ALOX5MAPTRXFP1TP53F9
SCHEMBL17405825 0.94 ALOX5 (0.33) ALOX5MAPTRXFP1TP53F9
SCHEMBL17341561 0.94 ALOX5 (0.34) ALOX5MAPTRXFP1TP53F9
SCHEMBL17405870 0.93 ALOX5 (0.34) ALOX5MAPTRXFP1TP53F9
SCHEMBL17405760 0.93 ALOX5 (0.34) ALOX5MAPTRXFP1TP53F9
SCHEMBL17405501 0.93 ALOX5 (0.34) ALOX5MAPTRXFP1TP53F9
SCHEMBL17406207 0.93 ALOX5 (0.34) ALOX5MAPTRXFP1TP53F9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 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-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE ODC1, NOTUM, OR10J3 ALOX5 103/4885MAPT 2869/4885RXFP1 4860/4885

“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.