SCHEMBL186808

SCHEMBL186808

Cc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)c(C=O)[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 6/20 0.39
RAB9A P51151 5/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 4/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 1/20 0.39
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
MAPK14 Q16539 1/20 0.37
MITF O75030 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 3/20 0.36
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL186253 0.94 GCGR (0.47) GCGRALDH1A1RAB9AKMT2AMEN1
SCHEMBL187180 0.87 GCGR (0.38) GCGRTSHRALDH1A1RAB9AKMT2A
SCHEMBL186384 0.77 MEN1 (0.41) GCGRALDH1A1RAB9AKMT2AMEN1
SCHEMBL186558 0.77 MEN1 (0.38) GCGRALDH1A1RAB9AKMT2AMEN1
SCHEMBL15305012 0.75 GCGR (0.38) GCGRTSHRALDH1A1KMT2AMEN1
SCHEMBL185969 0.73 NPC1 (0.53) GCGRALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL24791091 0.70 GCGR (0.40) GCGRTSHRALDH1A1RAB9AKMT2A
SCHEMBL23758527 0.70 GCGR (0.47) GCGRALDH1A1RAB9AKMT2AMEN1
SCHEMBL10065678 0.68 GCGR (0.48) GCGRALDH1A1RAB9AKMT2AMEN1
SCHEMBL10065679 0.68 GCGR (0.40) GCGRALDH1A1RAB9AKMT2AMEN1

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 GCGR 2138/4885TSHR 1693/4885ALDH1A1 1476/4885

“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.