SCHEMBL80564

SCHEMBL80564

Cc1cc(C(F)(F)F)c(C#N)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.55
ALDH1A1 P00352 9/20 0.55
GAA P10253 8/20 0.55
HPGD P15428 7/20 0.55
GLA P06280 7/20 0.55
TP53 P04637 1/20 0.55
ATM Q13315 1/20 0.49
AR P10275 5/20 0.46
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
XBP1 P17861 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL25613913 0.90 KDM4E (0.50) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL22917963 0.86 ALDH1A1 (0.47) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL12569547 0.82 ALDH1A1 (0.44) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL25786839 0.79 ALDH1A1 (0.45) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL7570304 0.79 ALDH1A1 (0.47) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL28068667 0.79 ALDH1A1 (0.50) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL30084378 0.77 ALDH1A1 (0.49) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL3118151 0.77 ALDH1A1 (0.46) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL24750269 0.77 AR (0.70) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL25983363 0.74 KDM4E (0.47) KDM4EALDH1A1GAAHPGDGLA

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-20230242562-A1 Compound of Formula (I), a Semiconductor Material Comprising at Least One Compound of Formula (I), a Semiconductor Layer Comprising at Least One Compound of Formula (I) and an Electronic Device Comprising at Least One Compound of Formula (I) NOVALED GMBH (DE) 2023-08-03 US disclosed
EP-4199131-A1 A CE(IV) METAL COMPLEX, AN ORGANIC ELECTRONIC DEVICE COMPRISING AN ANODE LAYER, A CATHODE LAYER AND A CHARGE GENERATION LAYER, WHEREIN THE CHARGE GENERATION LAYER COMPRISES A P-TYPE CHARGE GENERATION LAYER THAT COMPRISES THE CE(IV) METAL COMPLEX AND A N-TYPE CHARGE GENERATION LAYER Novaled GmbH (DE) 2023-06-21 EP disclosed
US-20200235304-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2020-07-23 US disclosed
US-8129002-B2 Compounds for use in liquid crystal media MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-20070111024-A1 Metal complex compound and organic electroluminescence device containing the same IDEMITSU KOSAN CO., LTD. (JP) 2007-05-17 US disclosed
US-20070111024-A1 Metal complex compound and organic electroluminescence device containing the same IDEMITSU KOSAN CO., LTD. (JP) 2007-05-17 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-20230242562-A1 Compound of Formula (I), a Semiconductor Material Comprising at Least One Compound of Formula (I), a Semiconductor Layer Comprising at Least One Compound of Formula (I) and an Electronic Device Comprising at Least One Compound of Formula (I) AFF4, AFF1, AFF2 KDM4E 624/4885ALDH1A1 722/4885GAA 2898/4885
US-20200235304-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME C1S, CBR3, CCNL2 KDM4E 3817/4885ALDH1A1 979/4885GAA 3839/4885

“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.