Sugi Predict

Sugi Predict / Compounds / SCHEMBL22326126

SCHEMBL22326126

SCHEMBL22326126

Oc1ccc(C(c2ccc(O)c(C(F)(F)F)c2)C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.50
▸ ESR2 Q92731 3/20 0.50
▸ HSD17B1 P14061 3/20 0.41
▸ HSD17B2 P37059 3/20 0.41
▸ APP P05067 2/20 0.33
▸ P4HB P07237 2/20 0.33
▸ AKR1C3 P42330 2/20 0.33
▸ AKR1C2 P52895 2/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MIF P14174 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33

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
SCHEMBL29575143 1.00 ESR1 (0.50) ESR1ESR2HSD17B1HSD17B2APP
SCHEMBL22338028 0.85 HSD17B2 (0.39) ESR1ESR2HSD17B1HSD17B2P4HB
SCHEMBL16648551 0.82 ESR1 (0.41) ESR1ESR2HSD17B1HSD17B2APP
SCHEMBL11750966 0.82 ALDH1A1 (0.52) HSD17B1HSD17B2AKR1C3AKR1C2NR1I2
SCHEMBL30708493 0.82 ESR1 (0.41) ESR1ESR2HSD17B1HSD17B2APP
SCHEMBL28059560 0.80 TDP1 (0.43) HSD17B1HSD17B2AKR1C3AKR1C2ALDH1A1
SCHEMBL22326115 0.78 ESR1 (0.43) ESR1ESR2ALDH1A1HTTKIF11
SCHEMBL22326134 0.77 ESR1 (0.52) ESR1ESR2HSD17B1HSD17B2LMNA
SCHEMBL28853162 0.76 AKR1C3 (0.48) HSD17B1HSD17B2APPAKR1C3AKR1C2
SCHEMBL9908613 0.76 GAA (0.57) ESR1HSD17B1HSD17B2AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020162408-A1 METHOD FOR PRODUCING 1,1,1-TRIFLUORO-2,2-BISARYLETHANE, AND 1,1,1-TRIFLUORO-2,2-BISARYLETHANE セントラル硝子株式会社 2020-08-13 — — WO claimed
US-12435185-B2 Method for producing 1,1,1-trifluoro-2,2-bisarylethane, and 1,1,1-trifluoro-2,2-bisarylethane CENTRAL GLASS COMPANY, LIMITED (JP) 2025-10-07 — — US disclosed
US-20220106444-A1 Method for Producing 1,1,1-Trifluoro-2,2-Bisarylethane, and 1,1,1-Trifluoro-2,2-Bisarylethane CENTRAL GLASS COMPANY, LIMITED (JP) 2022-04-07 — — US disclosed
WO-2020162408-A1 METHOD FOR PRODUCING 1,1,1-TRIFLUORO-2,2-BISARYLETHANE, AND 1,1,1-TRIFLUORO-2,2-BISARYLETHANE セントラル硝子株式会社 2020-08-13 — — 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-20220106444-A1 Method for Producing 1,1,1-Trifluoro-2,2-Bisarylethane, and 1,1,1-Trifluoro-2,2-Bisarylethane NAF1, FXR1, AFF1 ESR1 4737/4885ESR2 3744/4885HSD17B1 282/4885
US-12435185-B2 Method for producing 1,1,1-trifluoro-2,2-bisarylethane, and 1,1,1-trifluoro-2,2-bisarylethane NAF1, FXR1, AFF1 ESR1 4737/4885ESR2 3744/4885HSD17B1 282/4885

“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.