Sugi Predict

Sugi Predict / Compounds / SCHEMBL6784673

SCHEMBL6784673

SCHEMBL6784673

CC(=O)c1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.42
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ POLB P06746 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ STAT1 P42224 1/20 0.37

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
SCHEMBL7094533 0.88 SMN1; SMN2 (0.46) BACE1MAPTALDH1A1CYP1A2CYP2C9
SCHEMBL2937610 0.87 MLLT1 (0.45) MAPTMAOBALDH1A1CYP1A2CYP2C19
SCHEMBL7092176 0.81 FYN (0.40) MAPTMAOBALDH1A1NPC1MAPK1
SCHEMBL22319299 0.79 ALDH1A1 (0.57) BACE1LMNAALDH1A1GAACYP1A2
SCHEMBL5465425 0.77 TYK2 (0.42) MAPTMAOBALDH1A1MEN1MAPK1
SCHEMBL27542071 0.72 BACE1 (0.56) BACE1ALDH1A1GAACYP1A2CYP2C9
SCHEMBL11435938 0.72 MAPT (0.53) MAPTLMNAHDAC7NPC1MEN1
SCHEMBL7353113 0.71 CYP1A2 (0.47) MAPTLMNAMAOBALDH1A1GAA
SCHEMBL1663492 0.71 ALDH1A1 (0.46) MAPTALDH1A1GAAPKMPOLB
SCHEMBL1515691 0.71 HDAC7 (0.68) BACE1MAPTMAOBALDH1A1HDAC7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750213-B2 BONE DISORDERS; UROGENITAL SYSTEM DISORDERS; ANTICANCER AGENTS MERCK & CO., INC. 2004-06-15 — — US disclosed
US-20030225132-A1 Heterocyclic salts such as 3-(3-Hydroxyphenyl)-2-(4-(2-(1-pyrrolidinium)ethoxyphenol)-2,3-dihydro-1,4 -benzoxathiin-6-ol hydrochloride salt, used as estrane agonists, for phrophylaxis of bone disorders DININNO FRANK P (US) 2003-12-04 — — US disclosed
WO-2003086388-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-23 — — WO disclosed
WO-2003087073-A1 ESTROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-23 — — WO disclosed
US-20020165226-A1 Estrogen receptor modulators MERCK & CO., INC. 2002-11-07 — — 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-20020165226-A1 Estrogen receptor modulators ESRRA, GPER1, ESRRB BACE1 988/4885MAPT 843/4885LMNA 1353/4885
US-20030225132-A1 Heterocyclic salts such as 3-(3-Hydroxyphenyl)-2-(4-(2-(1-pyrrolidinium)ethoxyphenol)-2,3-dihydro-1,4 -benzoxathiin-6-ol hydrochloride salt, used as estrane agonists, for phrophylaxis of bone disorders GPER1, ESR2, ESR1 BACE1 757/4885MAPT 688/4885LMNA 1145/4885

“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.