SCHEMBL22320332

SCHEMBL22320332

Cc1cc(-c2ccccc2-c2cccc(-c3ccccc3-c3cc(C)cc(C4(C)c5ccccc5-c5ccccc54)c3O)n2)c(O)c(C2(C)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TGFBR1 P36897 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
RARG P13631 1/20 0.32
KMT2A Q03164 1/20 0.32
PDK1 Q15118 1/20 0.31
PDK3 Q15120 1/20 0.31

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
SCHEMBL30423320 1.00 PDK2 (0.38) PDK2L3MBTL1ALDH1A1CASP3RAB9A
SCHEMBL22356596 0.89 PDK2 (0.36) PDK2L3MBTL1ALDH1A1TGFBR1ESR1
SCHEMBL28621980 0.89 PDK2 (0.40) PDK2TGFBR1RARG
SCHEMBL30422791 0.88 PDK2 (0.39) PDK2TGFBR1RARG
SCHEMBL23754713 0.82 RARG (0.34) PDK2L3MBTL1ALDH1A1TGFBR1RARG
SCHEMBL30619637 0.82 RARG (0.34) PDK2L3MBTL1ALDH1A1TGFBR1RARG
SCHEMBL29601673 0.81 ALDH1A1 (0.44) PDK2L3MBTL1ALDH1A1CASP3NPSR1
SCHEMBL24359577 0.81 ALDH1A1 (0.44) PDK2L3MBTL1ALDH1A1CASP3NPSR1
SCHEMBL22321053 0.78 CNR2 (0.35) PDK2L3MBTL1ALDH1A1RAB9ATDP1
SCHEMBL29435416 0.78 CNR2 (0.35) PDK2L3MBTL1ALDH1A1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11203654-B2 Bis(aryl phenolate) lewis base catalysts and methods thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-12-21 US disclosed
US-11203654-B2 Bis(aryl phenolate) lewis base catalysts and methods thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-12-21 US disclosed
WO-2020167824-A1 B!S(ARYL PHENOLATE) LEWIS BASE CATALYSTS AND METHODS THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-08-20 WO disclosed
US-20200254431-A1 BIS(ARYL PHENOLATE) LEWIS BASE CATALYSTS AND METHODS THEREOF EXXONMOBIL CHEMICAL PATENTS INC. 2020-08-13 US disclosed
US-20200254431-A1 BIS(ARYL PHENOLATE) LEWIS BASE CATALYSTS AND METHODS THEREOF EXXONMOBIL CHEMICAL PATENTS INC. 2020-08-13 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 (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-11203654-B2 Bis(aryl phenolate) lewis base catalysts and methods thereof PHKB, TYR, ELL PDK2 538/4885L3MBTL1 3000/4885ALDH1A1 1743/4885

“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.