SCHEMBL186476

SCHEMBL186476

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALDH1A1 P00352 5/20 0.42
MITF O75030 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
KIF11 P52732 3/20 0.40
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
XDH P47989 1/20 0.37
KIT P10721 1/20 0.36
SRC P12931 1/20 0.36
FLT3 P36888 1/20 0.36
ITK Q08881 1/20 0.36
HPGD P15428 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34

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
SCHEMBL186943 0.93 ALDH1A1 (0.47) TSHRALDH1A1MITFTP53KMT2A
SCHEMBL6152314 0.87 SMN1; SMN2 (0.42) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL19664333 0.86 KMT2A (0.42) ALDH1A1MITFTP53KMT2AKIF11
SCHEMBL24634046 0.85 ALDH1A1 (0.41) TSHRALDH1A1MITFTP53KMT2A
SCHEMBL25365476 0.85 NPBWR1 (0.42) ALDH1A1KIF11KDM4ELMNAHPGD
SCHEMBL15032957 0.84 TSHR (0.46) TSHRALDH1A1MITFTP53KMT2A
SCHEMBL186163 0.83 TSHR (0.40) TSHRALDH1A1MITFTP53KMT2A
SCHEMBL10065680 0.83 TSHR (0.40) TSHRALDH1A1MITFTP53KMT2A
SCHEMBL2786777 0.82 MAPT (0.43) ALDH1A1MITFTP53KMT2AMAPT
SCHEMBL27824089 0.81 HRH3 (0.42) ALDH1A1MITFTP53KMT2AKIF11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220407007-A1 LIGHT-EMITTING ELEMENT MATERIAL CONTAINING PYRROMETHENE BORON COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE TORAY INDUSTRIES, INC. (JP) 2022-12-22 US disclosed
WO-2021085460-A1 LIGHT-EMITTING ELEMENT MATERIAL CONTAINING PYRROMETHENE BORON COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE 東レ株式会社 2021-05-06 WO disclosed
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 (2 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 TSHR 1693/4885ALDH1A1 1476/4885MITF 680/4885
US-20220407007-A1 LIGHT-EMITTING ELEMENT MATERIAL CONTAINING PYRROMETHENE BORON COMPLEX, LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE NR2E3, CRY1, GRK1 TSHR 124/4885ALDH1A1 268/4885MITF 856/4885

“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.