SCHEMBL16786176

SCHEMBL16786176

CC(=O)C(F)(F)CCC(C)C

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MLYCD O95822 1/20 0.31
BLM P54132 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL12868851 0.81 CA1 (0.36) L3MBTL1CA1MLYCDBLM
SCHEMBL16077733 0.79 CA1 (0.34) L3MBTL1CA1ALDH1A1TDP1MLYCD
SCHEMBL14770977 0.79 CES2 (0.50) L3MBTL1CA1MLYCD
SCHEMBL15423500 0.77 ALDH1A1 (0.37) L3MBTL1CA1ALDH1A1TDP1
SCHEMBL16448765 0.75 ALDH1A1 (0.38) ALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL28258790 0.74 CA1 (0.31) L3MBTL1CA1
SCHEMBL1698105 0.73 CA1 (0.37) L3MBTL1CA1ALDH1A1TDP1BLM
SCHEMBL15080398 0.73 CA1 (0.37) L3MBTL1CA1ALDH1A1TDP1BLM
SCHEMBL810028 0.72
SCHEMBL16081349 0.72

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 L3MBTL1 3127/4885CA1 1639/4885ALDH1A1 1548/4885
US-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R L3MBTL1 2071/4885CA1 1571/4885ALDH1A1 1160/4885
US-20150158903-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R L3MBTL1 2071/4885CA1 1571/4885ALDH1A1 1160/4885

“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.