SCHEMBL16404995

SCHEMBL16404995

Cc1cc(-c2cc(C(F)(F)F)n[nH]2)nc(-c2ccc(F)cc2F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.38
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 2/20 0.36
ALOX15 P16050 2/20 0.36
RAB9A P51151 2/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP1 P29466 1/20 0.34
CASP3 P42574 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SENP8 Q96LD8 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
SCHEMBL16405017 0.88 ABCC8 (0.37) ALPLABCC8KCNJ11MEN1KMT2A
SCHEMBL867635 0.85 ABCC8 (0.38) ALPLABCC8KCNJ11MEN1KMT2A
SCHEMBL20411750 0.84 ALPL (0.41) ALPLMEN1KMT2ANPC1ALOX15
SCHEMBL18290495 0.83 ALPL (0.34) ALPLABCC8KCNJ11MEN1KMT2A
SCHEMBL23412513 0.82 PDE10A (0.40) ALPLABCC8KCNJ11MEN1KMT2A
SCHEMBL23412512 0.81 F2RL3 (0.33) ALPLABCC8KCNJ11MEN1KMT2A
SCHEMBL6911265 0.81 ABCC8 (0.45) ALPLABCC8KCNJ11MEN1KMT2A
SCHEMBL12322371 0.79 ALPL (0.36) ALPLABCC8KCNJ11MEN1KMT2A
SCHEMBL863739 0.76 IDO1 (0.47) ALPLCYP1A2CYP3A4CYP2C8TGFBR1
SCHEMBL15202402 0.75 CCR1 (0.46) SMN1; SMN2ALDH1A1KDM4E

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-9553277-B2 Iridium complexes and organic light-emitting diodes using the same NATIONAL TSING HUA UNIVERSITY (TW) 2017-01-24 US disclosed
US-20160355534-A1 IRIDIUM (III) BASED PHOSPHORS BEARING PINCER CARBENE AND PYRAZOLYL CHELATES NATIONAL TSING HUA UNIVERSITY (TAIWAN) (TW) 2016-12-08 US disclosed
US-20160359129-A1 IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DIODES USING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2016-12-08 US disclosed
EP-2826821-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE ADSORPTION LIQUID COMPOSITION FOR DYE-SENSITIZED SOLAR CELL, SEMICONDUCTOR ELECTRODE FOR DYE-SENSITIZED SOLAR CELL, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL Fujifilm Corporation (JP) 2015-01-21 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-20160359129-A1 IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DIODES USING THE SAME APOL1, SNRPD1, OCIAD1 ALPL 806/4885ABCC8 4211/4885KCNJ11 3129/4885
US-20160355534-A1 IRIDIUM (III) BASED PHOSPHORS BEARING PINCER CARBENE AND PYRAZOLYL CHELATES PIN4, ORC3, OSBPL3 ALPL 42/4885ABCC8 2675/4885KCNJ11 1231/4885

“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.