Sugi Predict

Sugi Predict / Compounds / SCHEMBL4833944

SCHEMBL4833944

SCHEMBL4833944

C[C@]12CC[C@H]3[C@@H](CCC4CCCC[C@@H]43)[C@@H]1CCC2F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRD O14764 17/20 0.42
▸ GABRA1 P14867 17/20 0.42
▸ GABRB2 P47870 17/20 0.42
▸ GABRA4 P48169 17/20 0.42
▸ GABRP O00591 15/20 0.42
▸ GABRB1 P18505 15/20 0.42
▸ GABRG2 P18507 15/20 0.42
▸ GABRB3 P28472 15/20 0.42
▸ GABRA5 P31644 15/20 0.42
▸ GABRA3 P34903 15/20 0.42
▸ GABRA2 P47869 15/20 0.42
▸ GABRE P78334 15/20 0.42
▸ GABRA6 Q16445 15/20 0.42
▸ GABRG1 Q8N1C3 15/20 0.42
▸ GABRG3 Q99928 15/20 0.42
▸ GABRQ Q9UN88 15/20 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
SCHEMBL4834980 0.81 GABRD (0.42) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL15164711 0.81 SHBG (0.62) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL12178022 0.81 SHBG (0.62) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL16189884 0.81 SHBG (0.62) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL12178067 0.81 SHBG (0.62) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL23569462 0.81 GABRA1 (0.42) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL27374318 0.80 GABRA1 (0.42) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL1173075 0.78 GRIN1 (0.41) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL28139742 0.78 GRIN1 (0.41) GABRDGABRA1GABRB2GABRA4GABRP
SCHEMBL7028261 0.77 GABRA1 (0.42) GABRDGABRA1GABRB2GABRA4GABRP

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-7371741-B2 Estradiol derivatives and pharmaceutical compositions using same ENTREMED, INC. (US) 2008-05-13 — — US disclosed
US-20070135400-A1 Estradiol derivatives ENTREMED, INC. 2007-06-14 — — US disclosed
US-20070010505-A1 Methods of treating disease states using antiangiogenic agents ENTREMED, INC. 2007-01-11 — — US disclosed
EP-1633367-A2 ANTIANGIOGENIC AGENTS EntreMed, Inc. (US) 2006-03-15 — — EP disclosed
WO-2005030120-A2 ANTIANGIOGENIC AGENTS ENTREMED, INC. (US) 2005-04-07 — — WO disclosed
US-20050014737-A1 Antiangiogenic agents ENTREMED, INC. 2005-01-20 — — 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-20070135400-A1 Estradiol derivatives ESR2, NR5A1, ESRRB GABRD 1634/4885GABRA1 2020/4885GABRB2 880/4885
US-20050014737-A1 Antiangiogenic agents VEGFA, TEK, FLT4 GABRD 3928/4885GABRA1 3057/4885GABRB2 2524/4885
US-20070010505-A1 Methods of treating disease states using antiangiogenic agents VEGFA, PGF, TEK GABRD 3286/4885GABRA1 2325/4885GABRB2 1810/4885

“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.