SCHEMBL415334

SCHEMBL415334

CCC[Si](c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
PSIP1 O75475 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
PCSK9 Q8NBP7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
LTA4H P09960 1/20 0.31
LMNA P02545 3/20 0.31
CTSK P43235 1/20 0.31
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
ACHE P22303 1/20 0.30
TRPA1 O75762 1/20 0.30
PTGS2 P35354 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 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
Fluoride SCHEMBL27660696 0.97 TP53 (0.36) TP53PSIP1CES2CES1PCSK9
SCHEMBL114778 0.85 LTA4H (0.38) TP53CES2CES1PCSK9LTA4H
SCHEMBL416284 0.83 LTA4H (0.38) TP53CES2CES1PCSK9LTA4H
Hydrochloric Acid SCHEMBL27842651 0.83 LTA4H (0.36) TP53CES2CES1PCSK9LTA4H
SCHEMBL5973636 0.81 DNM1 (0.40) TP53CES2CES1LTA4HMEN1
SCHEMBL561210 0.81 DNM1 (0.40) TP53CES2CES1LTA4HMEN1
SCHEMBL8992480 0.81 DNM1 (0.40) TP53CES2CES1LTA4HMEN1
SCHEMBL8992135 0.81 DNM1 (0.40) TP53CES2CES1LTA4HMEN1
SCHEMBL417806 0.79 TP53 (0.38) TP53PSIP1CES2CES1PCSK9
SCHEMBL416584 0.78 TP53 (0.41) TP53PSIP1CES2CES1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4004538-A1 DETECTION OF VOLATILES Isobionics B.V. (NL) 2022-06-01 EP claimed
WO-2021018782-A1 DETECTION OF VOLATILES ISOBIONICS B.V. (NL) 2021-02-04 WO claimed
US-RE39072-E1 2-aminopropane-1,3-diol compounds, medicinal use thereof, and intermediates in synthesizing the same MITSUBISHI PHARMA CORPORATION (JP) 2006-04-18 US claimed
EP-1002792-B1 2-AMINOPROPANE-1,3-DIOL COMPOUNDS, MEDICINAL USE THEREOF, AND INTERMEDIATES IN SYNTHESIZING THE SAME MITSUBISHI PHARMA CORP (JP) 2004-07-14 EP claimed
US-6214873-B1 PREVENTION OR SUPPRESION OF REJECTION OF ORGANS OR BONE MARROW TRANSPLANTATION; TREATMENT OF AUTOIMMUNE DISEASES OR ALLERGIC DISEASES; DECREASE IN TOXICITY AND HIGHER SAFETY WELFIDE CORPORATION (JP) 2001-04-10 US claimed
US-5516871-A Diphenylsiloxane oligomers functionalized at both terminals and methods for the preparation thereof DOW CORNING ASIA, LTD. (JP) 1996-05-14 US claimed
US-20240132675-A1 POLYMER HAVING METAL-OXYGEN-METAL BOND AS PRIMARY CHAIN, COMPOSITION THEREOF, SOLID MATERIAL AND PRODUCTION METHOD THEREOF, AND ELECTRONIC COMPONENT AND FIBER TORAY INDUSTRIES, INC. (JP) 2024-04-25 US disclosed
US-20230103337-A1 MEDICINE FOR IMPROVING STATE OF PREGNANCY, AND USE THEREOF Yamaguchi, Koushi (JP) 2023-04-06 US disclosed
US-11541040-B2 Medicine for improving state of pregnancy, and use thereof Yamaguchi, Kouchi (JP) 2023-01-03 US disclosed
WO-2022202398-A1 POLYMER HAVING METAL-OXYGEN-METAL BOND AS PRIMARY CHAIN, COMPOSITION THEREOF, SOLID MATERIAL AND PRODUCTION METHOD THEREOF, AND ELECTRONIC COMPONENT AND FIBER 東レ株式会社 2022-09-29 WO disclosed
EP-3977995-A1 TACROLIMUS FOR AMELIORATING PREGNANCY CONDITIONS Yamaguchi, Koushi (JP) 2022-04-06 EP disclosed
WO-2021215106-A1 POLYORGANOSILSESQUIOXANE, MULTILAYER BODY AND SURFACE-COATED MOLDED BODY 株式会社ダイセル (JP) 2021-10-28 WO disclosed
EP-3900729-A1 AGENT FOR IMPROVING INFERTILITY, RECURRENT MISCARRIAGE, AND STATE OF PREGNANCY Yamaguchi, Koushi (JP) 2021-10-27 EP disclosed
EP-0399579-A1 Macrolides having immunosuppressive activity MERCK & CO. INC. (US) 1990-11-28 EP disclosed
US-4956352-A TREATING AUTOIMMUNE DISEASES, RESISTANCE TO TRANSPLANTATION, INFECTIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed
US-4929611-A ANTIBODY INHIBITORS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-29 US disclosed
US-4894366-A Tricyclo compounds, a process for their production and a pharmaceutical composition containing the same FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-01-16 US disclosed
EP-0104888-B1 PROCESS FOR PREPARING 2-HYDROXY-2-PHENYLETHYLAMINES ELI LILLY AND COMPANY (US) 1986-10-15 EP disclosed
EP-0184162-A2 Tricyclo compounds, a process for their production and a pharmaceutical composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-06-11 EP disclosed
EP-0104888-A1 Process for preparing 2-hydroxy-2-phenylethylamines ELI LILLY AND COMPANY (US) 1984-04-04 EP 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-20230103337-A1 MEDICINE FOR IMPROVING STATE OF PREGNANCY, AND USE THEREOF PGF, SLC10A1, SLC26A4 TP53 4805/4885PSIP1 4029/4885CES2 1351/4885
US-11541040-B2 Medicine for improving state of pregnancy, and use thereof PGF, SLC10A1, SLC26A4 TP53 4703/4885PSIP1 3863/4885CES2 1171/4885

“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.