SCHEMBL17866563

SCHEMBL17866563

CC(C)(C)c1ccc(B(c2ccc(F)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
XBP1 P17861 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 1/20 0.42
LMNA P02545 2/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
TRPV6 Q9H1D0 1/20 0.41
TYR P14679 1/20 0.41
KCNH2 Q12809 1/20 0.39
HSD11B1 P28845 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPV1 Q8NER1 3/20 0.38

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
SCHEMBL16491634 0.88 TSHR (0.52) NPC1MAPTMAPK1RAB9ATSHR
SCHEMBL70544 0.85 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL125724 0.80 ORAI1 (0.58) NPC1RAB9AORAI1ORAI2ORAI3
SCHEMBL12937240 0.78 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ANPC1MAPT
Formaldehyde SCHEMBL28063101 0.78 SMN1; SMN2 (0.59) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL13624109 0.78 KIF11 (0.56) SMN1; SMN2MEN1KMT2ANPC1MAPT
Ethane SCHEMBL27887051 0.76 KIF11 (0.54) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL15868766 0.76 TSHR (0.41) NPC1MAPTMAPK1RAB9ATSHR
SCHEMBL11867010 0.74 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL14628931 0.73 ACHE (0.68) SMN1; SMN2KMT2ATSHRLMNAORAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10121974-B2 Condensed-cyclic compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-11-06 US disclosed
US-20160190449-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 US 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-10121974-B2 Condensed-cyclic compound and organic light-emitting device comprising the same CCNT1, CRY1, CCNA1 SMN1; SMN2 3063/4885MEN1 248/4885KMT2A 2891/4885
US-20160190449-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME CCNT1, CRY1, CCNA1 SMN1; SMN2 3073/4885MEN1 230/4885KMT2A 2809/4885

“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.