SCHEMBL21135302

SCHEMBL21135302

CC(O)(c1ccccc1)C(F)(F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.50
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
NR1H3 Q13133 3/20 0.42
ALOX15 P16050 1/20 0.41
NR1H2 P55055 2/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40
PTPN1 P18031 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 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
SCHEMBL5354310 0.86 HSD11B1 (0.63) HSD11B1ALDH1A1TSHRNR1H3ALOX15
SCHEMBL9888655 0.86 HSD11B1 (0.63) HSD11B1ALDH1A1TSHRNR1H3ALOX15
SCHEMBL9888614 0.86 HSD11B1 (0.63) HSD11B1ALDH1A1TSHRNR1H3ALOX15
SCHEMBL1617443 0.80 ALDH1A1 (0.52) HSD11B1ALDH1A1TSHRALOX15ESR1
Acetic Acid SCHEMBL27998990 0.78 HSD11B1 (0.61) HSD11B1NR1H3NR1H2PDK1PDK2
SCHEMBL9644838 0.76 NR1H3 (0.48) ALDH1A1TSHRNR1H3NR1H2PTPN1
SCHEMBL3378017 0.76 TSHR (0.48) HSD11B1ALDH1A1TSHRNR1H3NR1H2
SCHEMBL2228773 0.76 TSHR (0.48) HSD11B1ALDH1A1TSHRNR1H3NR1H2
SCHEMBL2761335 0.75 ALDH1A1 (0.52) HSD11B1ALDH1A1TSHRNR1H3ALOX15
SCHEMBL7576295 0.75 ALDH1A1 (0.52) HSD11B1ALDH1A1TSHRNR1H3ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 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 (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-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS HSD11B1 149/4885ALDH1A1 505/4885TSHR 2116/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS HSD11B1 149/4885ALDH1A1 505/4885TSHR 2116/4885

“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.