SCHEMBL16786175

SCHEMBL16786175

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nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
SLC15A2 Q16348 1/20 0.39
CA1 P00915 2/20 0.35
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33

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
SCHEMBL237372 1.00 ALDH1A1 (0.47) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL16360132 1.00 ALDH1A1 (0.47) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL9720153 0.88 ALDH1A1 (0.53) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL1783594 0.84 ALDH1A1 (0.43) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL1781677 0.82 PAOX (0.44) ALDH1A1TDP1LMNASLC15A2ACHE
SCHEMBL1783331 0.79 ALDH1A1 (0.43) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL1783542 0.79 ALDH1A1 (0.43) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL15943069 0.79 ALDH1A1 (0.43) ALDH1A1TDP1LMNASLC15A2CA1
SCHEMBL244922 0.78 GABRP (0.56) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL11802464 0.78 ALDH1A1 (0.47) ALDH1A1TDP1LMNASLC15A2CA1

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 ALDH1A1 1548/4885TDP1 3247/4885LMNA 2177/4885
US-20230192756-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R ALDH1A1 1160/4885TDP1 4382/4885LMNA 2338/4885
US-20150158903-A1 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF CHRNB4, CHRNB3, MC2R ALDH1A1 1160/4885TDP1 4382/4885LMNA 2338/4885

“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.