SCHEMBL17855738

SCHEMBL17855738

c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
PRKDC P78527 1/20 0.38
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
GGPS1 O95749 1/20 0.34
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGES2 Q9H7Z7 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
SCHEMBL17855749 1.00 ALOX5 (0.40) ALOX5PRKDCMMP12MMP13GGPS1
SCHEMBL25814658 0.97 ALOX5 (0.41) ALOX5PRKDCMMP12MMP13GGPS1
SCHEMBL17855758 0.96 ALOX5 (0.41) ALOX5PRKDCMMP12MMP13GGPS1
SCHEMBL17855752 0.95 ALOX5 (0.40) ALOX5PRKDCMMP12MMP13GGPS1
SCHEMBL25814809 0.95 ALOX5 (0.38) ALOX5PRKDCMMP12MMP13GGPS1
SCHEMBL25814734 0.95 ALOX5 (0.38) ALOX5PRKDCMMP12MMP13GGPS1
SCHEMBL17855555 0.95 ALOX5 (0.44) ALOX5PRKDCGGPS1KDM4EMEN1
SCHEMBL17855534 0.95 ALOX5 (0.44) ALOX5PRKDCGGPS1KDM4EMEN1
SCHEMBL17855594 0.95 ALOX5 (0.36) ALOX5PRKDCMMP12MMP13GGPS1
SCHEMBL17855438 0.94 ALOX5 (0.40) ALOX5PRKDCGGPS1KDM4EMEN1

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 ALOX5 1603/4885PRKDC 4864/4885MMP12 4079/4885

“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.