SCHEMBL22320329

SCHEMBL22320329

CCC(C)(C)c1cc(-c2ccccc2Br)c(OCOC)c(C(C)(C)CC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 2/20 0.32
UBE2N P61088 2/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RARG P13631 3/20 0.31
RXRA P19793 3/20 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
SCHEMBL22334484 0.86 MAPK1 (0.39) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL30423765 0.85 MAPK1 (0.38) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL22320312 0.85 MAPK1 (0.38) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL22356571 0.84 MAPK1 (0.38) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL22320162 0.84 RXRA (0.36) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL30423244 0.82 RXRA (0.36) MAPK1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL22320302 0.82 RXRA (0.36) MAPK1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL22320299 0.81 SMN1; SMN2 (0.32) SMN1; SMN2LMNAMEN1KMT2AALDH1A1
SCHEMBL31405180 0.80 NPC1 (0.32) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL26260737 0.78 RXRA (0.30) RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3924395-A1 B!S(ARYL PHENOLATE) LEWIS BASE CATALYSTS AND METHODS THEREOF ExxonMobil Chemical Patents Inc. (US) 2021-12-22 EP disclosed
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
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 MAPK1 2539/4885SMN1; SMN2 3843/4885NPC1 4864/4885

“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.