Sugi Predict

Sugi Predict / Compounds / SCHEMBL4833938

SCHEMBL4833938

SCHEMBL4833938

C[C@@]12CCC[C@H]1[C@@H]1CCC3CC(F)CC[C@@H]3[C@H]1CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 5/20 0.56
▸ GRIN2B Q13224 5/20 0.56
▸ CDK5 Q00535 1/20 0.40
▸ CDK5R1 Q15078 1/20 0.40
▸ NR1I3 Q14994 1/20 0.40
▸ MBOAT4 Q96T53 3/20 0.33
▸ AKR1B10 O60218 1/20 0.33
▸ CYP19A1 P11511 3/20 0.32
▸ SHBG P04278 2/20 0.32
▸ GABRP O00591 2/20 0.30
▸ GABRD O14764 2/20 0.30
▸ GABRA1 P14867 2/20 0.30
▸ GABRB1 P18505 2/20 0.30
▸ GABRG2 P18507 2/20 0.30
▸ GABRB3 P28472 2/20 0.30
▸ GABRA5 P31644 2/20 0.30
▸ GABRA3 P34903 2/20 0.30
▸ GABRA2 P47869 2/20 0.30
▸ GABRB2 P47870 2/20 0.30
▸ GABRA4 P48169 2/20 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
SCHEMBL30645499 0.83 GRIN1 (0.58) GRIN1GRIN2BCDK5CDK5R1NR1I3
SCHEMBL6812629 0.81 GRIN1 (0.60) GRIN1GRIN2BCDK5CDK5R1NR1I3
SCHEMBL22018389 0.81 GRIN1 (0.60) GRIN1GRIN2BCDK5CDK5R1NR1I3
SCHEMBL4834976 0.81 GRIN1 (0.56) GRIN1GRIN2BCDK5CDK5R1NR1I3
SCHEMBL13007746 0.81 GRIN1 (0.60) GRIN1GRIN2BCDK5CDK5R1NR1I3
SCHEMBL133513 0.81 GRIN1 (0.60) GRIN1GRIN2BCDK5CDK5R1NR1I3
SCHEMBL6848786 0.81 GRIN1 (0.53) GRIN1GRIN2BCDK5CDK5R1NR1I3
SCHEMBL374356 0.80 GRIN1 (0.55) GRIN1GRIN2BCDK5CDK5R1NR1I3
SCHEMBL7353210 0.80 GRIN1 (0.55) GRIN1GRIN2BCDK5CDK5R1NR1I3
SCHEMBL23344356 0.79 GRIN1 (0.54) GRIN1GRIN2BCDK5CDK5R1NR1I3

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 GRIN1 3420/4885GRIN2B 2428/4885CDK5 976/4885
US-20050014737-A1 Antiangiogenic agents VEGFA, TEK, FLT4 GRIN1 4549/4885GRIN2B 4261/4885CDK5 539/4885
US-20070010505-A1 Methods of treating disease states using antiangiogenic agents VEGFA, PGF, TEK GRIN1 3556/4885GRIN2B 3065/4885CDK5 1189/4885

“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.