SCHEMBL17855801

SCHEMBL17855801

c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(N(c4ccc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)cc4)c4ccc(-c5ccc6c(c5)sc5ccccc56)cc4)ccc32)cc1

nearest known ligand 0.30

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.30
MAPT P10636 2/20 0.30
HPGD P15428 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 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
SCHEMBL17855729 1.00 ALDH1A1 (0.30) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17855650 0.98 ALDH1A1 (0.30) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17855816 0.97 PLA2G2A (0.31)
SCHEMBL25814689 0.97 ALDH1A1 (0.30) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17855797 0.97 PLA2G2A (0.30)
SCHEMBL17855446 0.95 KDM4E (0.30) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17855530 0.95 KDM4E (0.30) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17855560 0.95 KDM4E (0.30) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17855740 0.95 MMP12 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL17855549 0.95 KDM4E (0.30) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2

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 ALDH1A1 848/4885MAPT 1923/4885HPGD 4588/4885

“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.