SCHEMBL186558

SCHEMBL186558

Cc1ccc(-c2cc(-c3cc(C)c(C)cc3C)c(C=O)[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 4/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
GCGR P47871 1/20 0.36
MAPK14 Q16539 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36

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
SCHEMBL186384 0.88 MEN1 (0.41) MEN1KMT2AKDM4EHPGDRAB9A
SCHEMBL187180 0.78 GCGR (0.38) MEN1KMT2AKDM4EHPGDRAB9A
SCHEMBL186808 0.77 GCGR (0.43) MEN1KMT2AKDM4EHPGDRAB9A
SCHEMBL186020 0.73 MAPT (0.42) KMT2AKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL185969 0.68 NPC1 (0.53) KDM4EHPGDRAB9AALDH1A1SMN1; SMN2
SCHEMBL7329075 0.67 RAB9A (0.51) KDM4EHPGDRAB9AALDH1A1SMN1; SMN2
SCHEMBL186498 0.66 SMN1; SMN2 (0.36) MEN1KMT2AKDM4EHPGDRAB9A
SCHEMBL28202498 0.64 CYP2A6 (0.48) ALDH1A1HSD17B10
SCHEMBL23908222 0.63 TDP1 (0.47) MEN1KMT2AKDM4EHPGDRAB9A
SCHEMBL9766805 0.62 GRIA1 (0.38) KDM4EHPGDALDH1A1SMN1; SMN2LMNA

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-8778510-B2 Pyrromethene-boron complex compounds and organic electroluminescent elements using same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-15 US disclosed
EP-2402351-B1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTRO- LUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO (JP) 2013-10-09 EP disclosed
US-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME MITSUI CHEMICALS, INC. 2012-02-16 US disclosed
EP-2402351-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTRO- LUMINESCENT ELEMENTS USING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-01-04 EP 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-20120037890-A1 PYRROMETHENE-BORON COMPLEX COMPOUNDS AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME LEF1, ZRANB2, AFF1 MEN1 243/4885KMT2A 1733/4885KDM4E 4112/4885

“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.