SCHEMBL6512247

SCHEMBL6512247

CC(C(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.54
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.50
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KCNK9 Q9NPC2 1/20 0.46
ESRRG P62508 2/20 0.45
PGR P06401 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
HTR2A P28223 1/20 0.45
HRH1 P35367 1/20 0.45
KCNH2 Q12809 1/20 0.45
PTGS2 P35354 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
SRD5A2 P31213 1/20 0.44
TNF P01375 1/20 0.44

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
SCHEMBL28362610 0.91 NR1H4 (0.58) NR1H4MAPTALDH1A1TSHRHSD17B10
SCHEMBL4800556 0.85 CES2 (0.56) TSHRPGRADRA2AADRA2BHTR2A
SCHEMBL702447 0.83 TDP1 (0.61) TDP1L3MBTL1MAPTALDH1A1TSHR
SCHEMBL10894082 0.83 TDP1 (0.61) TDP1L3MBTL1MAPTALDH1A1TSHR
SCHEMBL6758776 0.83 ALDH1A1 (0.68) NR1H4TDP1L3MBTL1MAPTALDH1A1
SCHEMBL7041252 0.81 TDP1 (0.49) NR1H4TDP1L3MBTL1MAPTALDH1A1
SCHEMBL8021929 0.80 PTGS2 (0.54) TDP1L3MBTL1MAPTALDH1A1HSD17B10
SCHEMBL9541003 0.80 LMNA (0.53) TDP1L3MBTL1MAPTALDH1A1HSD17B10
SCHEMBL4806377 0.80 PTGS2 (0.69) TDP1L3MBTL1MAPTALDH1A1PGR
SCHEMBL2926204 0.80 CES2 (0.53) TDP1L3MBTL1MAPTALDH1A1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585216-B1 PI-ALLYLPALLADIUM AND PI-ALLYLNICKEL COMPLEXES FOR USE AS CATALYSTS IN CARBON-CARBON AND CARBON-NITROGEN COUPLING REACTIONS JOHNSON MATTHEY PLC (GB) 2019-11-20 EP disclosed
US-20190016742-A1 Complexes JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-01-17 US disclosed
US-10167305-B2 Allyl complexes for use in coupling reactions JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-01-01 US disclosed
US-20130165660-A1 COMPLEXES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-06-27 US disclosed
US-20130165660-A1 COMPLEXES JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2013-06-27 US disclosed
WO-2011161451-A1 COMPLEXES JOHNSON MATTHEY PLC (GB) 2011-12-29 WO disclosed
US-6867310-B1 Arylation and vinylation of activated carbons MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-03-15 US disclosed
WO-2004028252-A1 PESTICIDAL COMPOSITION AND METHOD FOR CONTROLLING PEST ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-04-08 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 (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-10167305-B2 Allyl complexes for use in coupling reactions AP3M1, AP1M1, C9 NR1H4 1719/4885TDP1 4386/4885L3MBTL1 2606/4885
US-20190016742-A1 Complexes C5, C1S, C9 NR1H4 1776/4885TDP1 4171/4885L3MBTL1 3265/4885

“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.