SCHEMBL186498

SCHEMBL186498

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6152314 0.81 SMN1; SMN2 (0.42) SMN1; SMN2CCNB2CDK1CCNB1GSK3A
SCHEMBL6153977 0.77 MAPT (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL186791 0.74 RAB9A (0.44) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL10065680 0.74 TSHR (0.40) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL15037241 0.74 HMBS (0.46) SMN1; SMN2CCNB2CDK1CCNB1GSK3A
SCHEMBL25364857 0.74 MAPT (0.42) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL17279792 0.74 MAPT (0.42) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL23908222 0.73 TDP1 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL186476 0.70 TSHR (0.52) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD
SCHEMBL28326433 0.70 ACHE (0.52) SMN1; SMN2RAB9ANPC1ALDH1A1HPGD

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 SMN1; SMN2 4195/4885CCNB2 277/4885CDK1 1429/4885

“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.