SCHEMBL168698

SCHEMBL168698

COC(=O)c1ccc(C#C[Si](C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.54
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CA12 O43570 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
MAPT P10636 4/20 0.49
TSHR P16473 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL6132177 0.95 PTPN11 (0.50) PTPN11CA1CA2TDP1CA12
SCHEMBL6135654 0.92 MAPT (0.50) PTPN11CA1CA2TDP1CA12
SCHEMBL404124 0.88 PTPN11 (0.50) PTPN11CA1CA2TDP1CA12
SCHEMBL69268 0.85 PTPN11 (0.69) PTPN11CA1CA2TDP1CA12
SCHEMBL19554149 0.84 PTPN11 (0.48) PTPN11CA1CA2CA12CA7
SCHEMBL19712252 0.82 KDM4E (0.46) PTPN11CA1CA2TDP1CA12
SCHEMBL15400163 0.82 KDM4E (0.46) CA1CA2TDP1CA12CA7
SCHEMBL10894607 0.82 USP2 (0.45) PTPN11CA1CA2CA12CA7
SCHEMBL9805558 0.81 GABRA1 (0.51) PTPN11CA1CA2CA12CA9
SCHEMBL1348968 0.81 CA12 (0.54) CA1CA2TDP1CA12CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250282801-A1 TRITYL-BASED ALCOHOL PROTECTING GROUP SYNCREST INC. (JP) 2025-09-11 US disclosed
US-12331057-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-17 US disclosed
US-20240336614-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2024-10-10 US disclosed
WO-2024043198-A1 TRITYL-BASED ALCOHOL PROTECTING GROUP シンクレスト株式会社 2024-02-29 WO disclosed
WO-2024043198-A1 TRITYL-BASED ALCOHOL PROTECTING GROUP シンクレスト株式会社 2024-02-29 WO disclosed
US-11884672-B2 Modulators of alpha-1 antitrypsin VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-01-30 US disclosed
CN-112074507-B Compounds as Antibiotics 山东亨利医药科技有限责任公司 2023-09-05 CN disclosed
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-02-16 US disclosed
EP-3898588-B1 DISUBSTITUTED ALKYNE DERIVATIVES MERCK PATENT GMBH (DE) 2023-01-11 EP disclosed
US-11498909-B2 Compound acting as antibiotics KBP BIOSCIENCES CO., LTD. (CN) 2022-11-15 US disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
US-6046220-A ADMINISTERING TO THE PATIENT A PROPYNYL OR DIENYL BIAROMATIC COMPOUND TO TREAT A SKIN DISORDER, INFLAMMATORY CONDITIONS, VISION DEFECTS, ALOPECIA, CARDIOVASCULAR DISORDER, CANCER OR PRECANCER AND INSULIN DEPENDANT DIABETES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-04-04 US disclosed
US-5786379-A Adamantyl-substituted biaromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-07-28 US disclosed
US-5747530-A Aromatic dibenzofuran compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-05-05 US disclosed
US-5716624-A USEFUL FOR TREATING DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, OPTHALMOLOGICAL DISORDERS, AS WELL AS MAMMALIAN SKIN AND HAIR CONDITIONS/DISORDERS C.I.R.D. GALDERMA (FR) 1998-02-10 US disclosed
US-5626792-A DIPHENYLACETYLENE ESTERS, THIOESTERS OR DITHIOESTERS DISPLAYTECH, INC. (US) 1997-05-06 US disclosed
US-4638083-A ESTERIFICATION OF HYDROXY COMPOUND WITH ETHYNYL BENZOYL CHLORIDE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS & SPACE ADMINISTRATION (US) 1987-01-20 US disclosed
US-4567240-A Ethynyl terminated ester oligomers and polymers therefrom THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1986-01-28 US disclosed
US-4465833-A ALKYNYLATION HALOGENATED BENZENE COMPOUND IN PRESENCE OF METAL CATALYST HUGHES AIRCRAFT COMPANY (US) 1984-08-14 US disclosed
EP-0050428-A1 Ethynylated aromatic compounds and process for making same Hughes Aircraft Company (US) 1982-04-28 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 (6 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-20240336614-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINC1, SERPINA3 PTPN11 3166/4885CA1 2768/4885CA2 4185/4885
US-11884672-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 PTPN11 3166/4885CA1 2768/4885CA2 4185/4885
US-11498909-B2 Compound acting as antibiotics PEPD, NRDC, DPP4 PTPN11 2102/4885CA1 4040/4885CA2 2864/4885
US-20250282801-A1 TRITYL-BASED ALCOHOL PROTECTING GROUP POT1, ADH1A, ADH5 PTPN11 4164/4885CA1 2341/4885CA2 3812/4885
US-20230052586-A1 DISUBSTITUTED ALKYNE DERIVATIVES BRCA1, MYC, PCNA PTPN11 1542/4885CA1 4883/4885CA2 4672/4885
US-12331057-B2 Modulators of alpha-1 antitrypsin SERPINA2, SERPINC1, SERPINA3 PTPN11 3166/4885CA1 2768/4885CA2 4185/4885

“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.