SCHEMBL1959375

SCHEMBL1959375

CC(C)(C)c1cccc(C(=O)c2cccc(C(C)(C)C)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.47
AHR P35869 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
CBLB Q13191 1/20 0.38
CYP1A2 P05177 1/20 0.37
CCR2 P41597 2/20 0.37
CCR5 P51681 2/20 0.37
DDR1 Q08345 1/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
LMNA P02545 1/20 0.34
ACHE P22303 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL13043862 0.86 ALDH1A1 (0.44) P2RX7AHRKDM4EALOX15TSHR
SCHEMBL2627808 0.86 KDM4E (0.61) P2RX7KDM4EALOX15TSHRACMSD
SCHEMBL10034525 0.84 P2RX7 (0.41) P2RX7AHRKDM4EALOX15TSHR
Hydrochloric Acid SCHEMBL3743949 0.84 KDM4E (0.59) P2RX7KDM4EALOX15TSHRACMSD
SCHEMBL11347510 0.84 P2RX7 (0.45) P2RX7KDM4EALOX15TSHRACMSD
SCHEMBL18254198 0.81 P2RX7 (0.39) P2RX7AHRKDM4EALOX15TSHR
SCHEMBL13044079 0.81 CBLB (0.40) P2RX7AHRKDM4EALOX15TSHR
SCHEMBL18254195 0.81 BRD4 (0.51) P2RX7PTGS1PTGS2CBLBCYP1A2
SCHEMBL2627807 0.81 CYP1A2 (0.53) P2RX7KDM4ETSHRALDH1A1CYP1A2
SCHEMBL13078371 0.81 P2RX7 (0.42) P2RX7KDM4EALOX15TSHRACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9634268-B2 Electronic device comprising metal complexes MERCK PATENT GMBH (DE) 2017-04-25 US disclosed
US-9634268-B2 Electronic device comprising metal complexes MERCK PATENT GMBH (DE) 2017-04-25 US disclosed
US-9634268-B2 Electronic device comprising metal complexes MERCK PATENT GMBH (DE) 2017-04-25 US disclosed
US-20120286254-A1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-11-15 US disclosed
US-20120286254-A1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-11-15 US disclosed
US-20120286254-A1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES MERCK PATENT GMBH (DE) 2012-11-15 US disclosed
CN-102648540-A Electronic device comprising metal complex MERCK PATENT GMBH 2012-08-22 CN disclosed
WO-2011066898-A1 ELECTRONIC DEVICE CONTAINING METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-06-09 WO disclosed
WO-2011066898-A1 ELECTRONIC DEVICE CONTAINING METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-06-09 WO 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-20120286254-A1 ELECTRONIC DEVICE COMPRISING METAL COMPLEXES AP1M1, EXOC1, EMC1 P2RX7 3940/4885AHR 3052/4885KDM4E 3442/4885

“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.