Sugi Predict

Sugi Predict / Compounds / SCHEMBL16626144

SCHEMBL16626144

SCHEMBL16626144

FC(F)(c1ccc(OCC2CO2)cc1)C(F)(F)c1ccc(OCC2CO2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.70
▸ TP53 P04637 3/20 0.70
▸ TSHR P16473 3/20 0.70
▸ KMT2A Q03164 3/20 0.70
▸ MAPT P10636 2/20 0.70
▸ HPGD P15428 2/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ HIF1A Q16665 2/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ PPARG P37231 1/20 0.70
▸ TDP1 Q9NUW8 1/20 0.59
▸ PKM P14618 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ GRM2 Q14416 2/20 0.43
▸ GLA P06280 1/20 0.42
▸ FGFR1 P11362 1/20 0.39
▸ SRC P12931 1/20 0.39

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
SCHEMBL16626141 0.94 KMT2A (0.73) ALDH1A1TP53TSHRKMT2AMAPT
SCHEMBL2335516 0.89 ALDH1A1 (0.70) ALDH1A1TP53TSHRKMT2AMAPT
SCHEMBL7966123 0.89 ALDH1A1 (0.70) ALDH1A1TP53TSHRKMT2AMAPT
SCHEMBL3693659 0.89 ALDH1A1 (0.70) ALDH1A1TP53TSHRKMT2AMAPT
SCHEMBL5164343 0.88 ALDH1A1 (0.59) ALDH1A1TP53TSHRKMT2AMAPT
SCHEMBL19439756 0.86 ALDH1A1 (0.66) ALDH1A1TP53TSHRKMT2AMAPT
SCHEMBL195075 0.86 ALDH1A1 (0.66) ALDH1A1TP53TSHRKMT2AMAPT
SCHEMBL8159842 0.85 ALDH1A1 (0.74) ALDH1A1TP53TSHRKMT2AMAPT
SCHEMBL11742879 0.85 TP53 (0.64) ALDH1A1TP53TSHRKMT2AMAPT
SCHEMBL19523007 0.85 ALDH1A1 (0.56) ALDH1A1TP53TSHRKMT2AMAPT

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-9802963-B2 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2017-10-31 — — US disclosed
US-9802963-B2 Fluorine-containing complex compound, and production method for fluorine-containing organic compound employing same DAIKIN INDUSTRIES, LTD. (JP) 2017-10-31 — — US disclosed
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME DAIKIN INDUSTRIES, LTD. (JP) 2016-07-28 — — US disclosed
US-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME DAIKIN INDUSTRIES, LTD. (JP) 2016-07-28 — — US disclosed
WO-2015050236-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME ダイキン工業株式会社 2015-04-09 — — 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 (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-20160214999-A1 FLUORINE-CONTAINING COMPLEX COMPOUND, AND PRODUCTION METHOD FOR FLUORINE-CONTAINING ORGANIC COMPOUND EMPLOYING SAME AFF1, AFF2, AFF4 ALDH1A1 1452/4885TP53 2143/4885TSHR 405/4885

“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.