Sugi Predict

Sugi Predict / Compounds / SCHEMBL3698240

SCHEMBL3698240

SCHEMBL3698240

CC(C)(C)[Si](C)(C)OCCc1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.49
▸ GABRG2 P18507 1/20 0.49
▸ GABRB3 P28472 1/20 0.49
▸ GABRA3 P34903 1/20 0.49
▸ GABRA2 P47869 1/20 0.49
▸ GABRB2 P47870 1/20 0.49
▸ CHRM2 P08172 2/20 0.46
▸ CHRM1 P11229 2/20 0.46
▸ CHRM3 P20309 2/20 0.46
▸ DRD2 P14416 3/20 0.46
▸ DRD1 P21728 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ TYR P14679 1/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD5 P21918 1/20 0.43
▸ OPRK1 P41145 3/20 0.41
▸ CALM1 P0DP23 3/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41

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
SCHEMBL3168839 0.91 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL840465 0.85 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL28266847 0.84 CYP4F2 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL15413373 0.81 TAAR1 (0.46) CHRM2CHRM1CHRM3TAAR1
SCHEMBL333905 0.81 TAAR1 (0.46) TAAR1
SCHEMBL1618748 0.81 LPL (0.50) ENPP2
SCHEMBL2821530 0.80 ESR1 (0.45) CHRM2CHRM1CHRM3TAAR1CALM1
SCHEMBL12093121 0.80 CA12 (0.38) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9185281 0.80 IDO1 (0.42) TAAR1CA1CA9
SCHEMBL4876076 0.80 MAOB (0.43) —

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777217-A Chemical preparation method of icariside D2 威海海洋职业学院 2024-03-29 — — CN disclosed
US-20200270237-A1 NEW ALKOXYAMINO COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-08-27 — — US disclosed
EP-3697766-A1 NEW ALKOXYAMINO COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-08-26 — — EP disclosed
WO-2019077106-A1 NEW ALKOXYAMINO COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-04-25 — — WO disclosed
US-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-07-02 — — US disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 — — US disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 — — US disclosed
US-8927548-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-06 — — US disclosed
US-8318790-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-11-27 — — US disclosed
US-8318790-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-11-27 — — US disclosed
EP-1259520-A2 NOVEL PURINES ARIAD PHARMACEUTICALS, INC. (US) 2002-11-27 — — EP disclosed
EP-1246829-A1 NOVEL HETEROCYCLES ARIAD PHARMACEUTICALS, INC. (US) 2002-10-09 — — EP disclosed
EP-1244679-A1 PURINE DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2002-10-02 — — EP disclosed
US-20020132819-A1 Novel purinse ARIAD PHARMACETICALS, INC. 2002-09-19 — — US disclosed
US-20020103161-A1 Novel heterocycles ARIAD PHARMACEUTICALS, INC. 2002-08-01 — — US disclosed
WO-2001044260-A9 NOVEL PURINES ARIAD PHARMA INC (US) 2002-07-04 — — WO disclosed
US-20020068721-A1 Purine derivatives ARIAD PHARMACEUTICALS, INC. 2002-06-06 — — US disclosed
WO-2001044258-A1 NOVEL HETEROCYCLES ARIAD PHARMACEUTICALS, INC. (US) 2001-06-21 — — WO disclosed
WO-2001044260-A2 NOVEL PURINES ARIAD PHARMACEUTICALS, INC. (US) 2001-06-21 — — WO disclosed
WO-2001044259-A1 PURINE DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2001-06-21 — — 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 (5 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-20150183771-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 GABRA1 3641/4885GABRG2 3700/4885GABRB3 2647/4885
US-20020068721-A1 Purine derivatives HPRT1, PNP, TYMP GABRA1 1516/4885GABRG2 2432/4885GABRB3 1423/4885
US-20020132819-A1 Novel purinse PURB, NUDT15, NT5C2 GABRA1 3923/4885GABRG2 3803/4885GABRB3 3552/4885
US-20020103161-A1 Novel heterocycles BMP2, SOST, BMP4 GABRA1 4101/4885GABRG2 3760/4885GABRB3 3023/4885
US-20200270237-A1 NEW ALKOXYAMINO COMPOUNDS FOR TREATING PAIN AND PAIN RELATED CONDITIONS OPRD1, CACNA1B, TRPV1 GABRA1 136/4885GABRG2 167/4885GABRB3 114/4885

“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.