SCHEMBL22320322

SCHEMBL22320322

CCC(C)(C)c1cc(Br)c(O)c(C(C)(C)CC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
HIF1A Q16665 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP3A4 P08684 3/20 0.48
ALOX15 P16050 2/20 0.48
ALOX12 P18054 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
CHEK1 O14757 1/20 0.42
DAPK3 O43293 1/20 0.42
RET P07949 1/20 0.42
PDGFRB P09619 1/20 0.42
PIM1 P11309 1/20 0.42
PDGFRA P16234 1/20 0.42
KDR P35968 1/20 0.42
MAPK8 P45983 1/20 0.42
RPS6KA3 P51812 1/20 0.42

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
SCHEMBL1542833 0.88 TSHR (0.61) TSHRHIF1AHSD17B10CYP3A4ALOX15
SCHEMBL1160345 0.86 SMN1; SMN2 (0.41) TSHRHIF1ACYP3A4ALOX15ALDH1A1
SCHEMBL27900463 0.81 MAPK1 (0.36) HIF1AHSD17B10CYP3A4ALOX15ALDH1A1
SCHEMBL8377448 0.81 SMN1; SMN2 (0.38) HIF1AHSD17B10CYP3A4ALOX15ALDH1A1
SCHEMBL7189472 0.81 SMN1; SMN2 (0.40) TSHRCYP3A4ALDH1A1CYP2C9CYP1A2
SCHEMBL11579489 0.81 ESR1 (0.50) ALDH1A1CYP2C9CYP1A2CYP2C19MAPK1
SCHEMBL24406351 0.80 HIF1A (0.38) TSHRHIF1AHSD17B10CYP3A4ALOX15
SCHEMBL31063252 0.80 TSHR (0.47) TSHRHIF1AHSD17B10CYP3A4ALOX15
SCHEMBL17471441 0.78 ESR1 (0.42) HIF1AALOX15ALDH1A1CYP2C9CYP2C19
SCHEMBL809470 0.78 HSPA5 (0.47) HIF1AHSD17B10CYP3A4ALOX15ALDH1A1

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
CN-113423742-B Bis (arylphenoxide) lewis base catalysts and methods thereof 埃克森美孚化学专利公司 2023-05-05 CN disclosed
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
CN-113423742-A Bis (arylphenolate) lewis base catalysts and processes thereof 埃克森美孚化学专利公司 2021-09-21 CN 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 TSHR 1691/4885HIF1A 4138/4885HSD17B10 1369/4885

“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.