SCHEMBL23569462

SCHEMBL23569462

CC12CCC3C4CCCCC4CCC3C1CCC2S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 16/20 0.42
GABRB2 P47870 16/20 0.42
GABRD O14764 15/20 0.42
GABRA4 P48169 15/20 0.42
GABRP O00591 13/20 0.42
GABRB1 P18505 13/20 0.42
GABRG2 P18507 13/20 0.42
GABRB3 P28472 13/20 0.42
GABRA5 P31644 13/20 0.42
GABRA3 P34903 13/20 0.42
GABRA2 P47869 13/20 0.42
GABRE P78334 13/20 0.42
GABRA6 Q16445 13/20 0.42
GABRG1 Q8N1C3 13/20 0.42
GABRG3 Q99928 13/20 0.42
GABRQ Q9UN88 13/20 0.42
SHBG P04278 1/20 0.42
ESR1 P03372 1/20 0.33
AR P10275 1/20 0.33
ESR2 Q92731 1/20 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
SCHEMBL4833944 0.81 GABRD (0.42) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL12178067 0.81 SHBG (0.62) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL15164711 0.81 SHBG (0.62) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL16189884 0.81 SHBG (0.62) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL12178022 0.81 SHBG (0.62) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL4834980 0.81 GABRD (0.42) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL28139742 0.78 GRIN1 (0.41) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL1173075 0.78 GRIN1 (0.41) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL27374318 0.77 GABRA1 (0.42) GABRA1GABRB2GABRDGABRA4GABRP
SCHEMBL7028261 0.77 GABRA1 (0.42) GABRA1GABRB2GABRDGABRA4GABRP

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-11512107-B2 Methods for assembly of tetracyclic compounds by stereoselective C9-C10 bond formation TRUSTEES OF DARTMOUTH COLLEGE (US) 2022-11-29 US disclosed
US-20210188898-A1 METHODS FOR ASSEMBLY OF TETRACYCLIC COMPOUNDS BY STEREOSELECTIVE C9-C10 BOND FORMATION TRUSTEES OF DARTMOUTH COLLEGE 2021-06-24 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-20210188898-A1 METHODS FOR ASSEMBLY OF TETRACYCLIC COMPOUNDS BY STEREOSELECTIVE C9-C10 BOND FORMATION C9, NDC1, RTCB GABRA1 1489/4885GABRB2 1300/4885GABRD 482/4885
US-11512107-B2 Methods for assembly of tetracyclic compounds by stereoselective C9-C10 bond formation C9, NDC1, RTCB GABRA1 1489/4885GABRB2 1300/4885GABRD 482/4885

“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.