SCHEMBL16786181

SCHEMBL16786181

CC(=O)C(F)(F)OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 2/20 0.31
GAA P10253 1/20 0.31
NR1H3 Q13133 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL24361248 0.82 TSHR (0.34) TSHRALDH1A1MAPK1GAANR1H3
SCHEMBL19501019 0.82 TSHR (0.34) TSHRALDH1A1MAPK1GAANR1H3
SCHEMBL14770904 0.80 TSHR (0.33) TSHRALDH1A1MAPK1GAANR1H3
SCHEMBL17487351 0.73
SCHEMBL14760149 0.73 TSHR (0.39) TSHRALDH1A1TDP1MAPK1
SCHEMBL9563367 0.70 GAA (0.33) TSHRALDH1A1TDP1MAPK1GAA
SCHEMBL22334184 0.69
SCHEMBL16786174 0.69 TSHR (0.38) TSHR
SCHEMBL27709697 0.68 TSHR (0.35) TSHRALDH1A1TDP1MAPK1
SCHEMBL28774470 0.66 TSHR (0.33) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF Sage Therapeutics, LLC 2023-06-22 US disclosed
US-20160022701-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS INC (US) 2016-01-28 US disclosed
US-20150158903-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2015-06-11 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 (3 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-20160022701-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CYP21A2, CYP24A1, HSD17B2 TSHR 1554/4885ALDH1A1 1548/4885TDP1 3247/4885
US-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R TSHR 448/4885ALDH1A1 1160/4885TDP1 4382/4885
US-20150158903-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R TSHR 448/4885ALDH1A1 1160/4885TDP1 4382/4885

“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.