SCHEMBL17855932

SCHEMBL17855932

c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc5c(c4)oc4ccccc45)c4cccc5c4sc4ccccc45)ccc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.32
ALOX5 P09917 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 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
SCHEMBL17855635 0.95 KDM4E (0.30) ALOX5KDM4EMEN1ALDH1A1MAPT
SCHEMBL17805032 0.95 PRKDC (0.33) PRKDCALOX5
SCHEMBL17855923 0.92 ALOX5 (0.30) ALOX5
SCHEMBL17855671 0.91 ALOX5 (0.32) ALOX5
SCHEMBL17855662 0.91 ALOX5 (0.32) ALOX5
SCHEMBL17855620 0.91 ALOX5 (0.30) ALOX5
SCHEMBL26342861 0.91 PRKDC (0.32) PRKDCALOX5
SCHEMBL17855667 0.90 ALOX5 (0.31) ALOX5
SCHEMBL17855658 0.90 ALOX5 (0.32) PRKDCALOX5
SCHEMBL17855930 0.90 KDM4E (0.30) KDM4EMEN1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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-20160181525-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE ESR1, ESR2, CCNE2 PRKDC 4864/4885ALOX5 1603/4885KDM4E 1828/4885

“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.