SCHEMBL16139792

SCHEMBL16139792

CC(C)CC[C@H](O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
CA1 P00915 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL108106 1.00 TSHR (0.33) TSHRCA1TRPV1TRPA1LMNA
SCHEMBL16139789 1.00 TSHR (0.33) TSHRCA1TRPV1TRPA1LMNA
SCHEMBL5186832 0.89 ALDH1A1 (0.39) TSHRTRPV1TRPA1LMNATDP1
SCHEMBL620986 0.89 ALDH1A1 (0.39) TSHRTRPV1TRPA1LMNATDP1
SCHEMBL620985 0.89 ALDH1A1 (0.39) TSHRTRPV1TRPA1LMNATDP1
SCHEMBL620984 0.89 ALDH1A1 (0.39) TSHRTRPV1TRPA1LMNATDP1
SCHEMBL106523 0.86 TSHR (0.38) TSHRCA1TRPV1TRPA1LMNA
SCHEMBL3761524 0.81 LMNA (0.48) TSHRCA1TRPV1TRPA1LMNA
SCHEMBL8059255 0.81 TRPV1 (0.31) TSHRCA1TRPV1TRPA1
SCHEMBL15423494 0.81 TRPV1 (0.48) CA1TRPV1TRPA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds OREGON STATE UNIVERSITY (US) 2023-07-25 US disclosed
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS INC (US) 2017-10-26 US disclosed
WO-2016057713-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. (US) 2016-04-14 WO 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
WO-2014160441-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. (US) 2014-10-02 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 (4 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 1554/4885CA1 1639/4885TRPV1 3915/4885
US-20150158903-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R TSHR 448/4885CA1 1571/4885TRPV1 1307/4885
US-11708377-B2 Analogues and derivatives of cephalotaxine and methods for making and using the compounds SLC6A2, NAPRT, SLC6A3 TSHR 3377/4885CA1 1222/4885TRPV1 2082/4885
US-20170304321-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF GRIN3B, GRIN2A, GRIN1 TSHR 2830/4885CA1 2977/4885TRPV1 1638/4885

“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.