SCHEMBL705887

SCHEMBL705887

CO[SiH](c1ccccc1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
CA4 P22748 2/20 0.35
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
TRPA1 O75762 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KCNN4 O15554 1/20 0.30
LTA4H P09960 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
SCHEMBL10516808 0.83 MAPK1 (0.37) MAPK1CA4ALDH1A1ALOX15
SCHEMBL704633 0.79 MAPK1 (0.34) MAPK1ALDH1A1ALOX15
SCHEMBL706107 0.77 CA4 (0.37) MAPK1CA4ALDH1A1ALOX15LTA4H
SCHEMBL23985417 0.76 MAPK1 (0.32) MAPK1ALDH1A1ALOX15
SCHEMBL703370 0.76 MAPK1 (0.32) MAPK1ALDH1A1ALOX15
SCHEMBL713132 0.76 RELA (0.33) MAPK1ALDH1A1ALOX15LTA4H
SCHEMBL705807 0.73 ALDH1A1 (0.37) ALDH1A1KCNN4
SCHEMBL705121 0.73 MEN1 (0.35) MAPK1ALDH1A1LTA4H
SCHEMBL27538454 0.70 CA1 (0.37) ALDH1A1ALOX15CA1CA2CA9
SCHEMBL707593 0.70 LTA4H (0.42) MAPK1ALDH1A1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070282121-A1 INTERMEDIATES FOR THE SYNTHESIS OF POLYPROPIONATE ANTIBIOTICS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-12-06 US claimed
US-7297807-B1 Intermediates for the synthesis of polypropionate antibiotics THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2007-11-20 US claimed
US-5350846-A Antibiotics MERCK & CO., INC. (US) 1994-09-27 US claimed
US-5247074-A Antibiotics MERCK & CO., INC. (US) 1993-09-21 US claimed
US-5208329-A Antibacterial agents MERCK & CO., INC. (US) 1993-05-04 US claimed
US-5182385-A Chemical intermediates for bactericides MERCK & CO., INC. (US) 1993-01-26 US claimed
EP-0465126-A2 Carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-01-08 EP claimed
US-12109812-B2 Ink jet printing method and ink jet printing apparatus SEIKO EPSON CORPORATION (JP) 2024-10-08 US disclosed
CN-114055975-B Ink jet recording method and ink jet recording apparatus 精工爱普生株式会社 2023-05-12 CN disclosed
EP-4172171-A1 3.ALPHA.-HYDROXY, 17.BETA.-C(O)-N-ARYL SUBSTITUTED NEUROACTIVE STEROIDS AND COMPOSITIONS THEREOF Sage Therapeutics, Inc. (US) 2023-05-03 EP disclosed
US-20230045939-A1 STABLE VACCINE AGAINST CLOSTRIDIUM DIFFICILE IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-16 US disclosed
EP-4121072-A1 CYCLIC SULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF Amathus Therapeutics, Inc. (US) 2023-01-25 EP disclosed
CN-108588151-B Process for large scale enzymatic synthesis of oligosaccharides 台湾地区“中央研究院” 2022-05-13 CN disclosed
US-5350846-A Antibiotics MERCK & CO., INC. (US) 1994-09-27 US disclosed
US-5247074-A Antibiotics MERCK & CO., INC. (US) 1993-09-21 US disclosed
US-5208329-A Antibacterial agents MERCK & CO., INC. (US) 1993-05-04 US disclosed
US-5182385-A Chemical intermediates for bactericides MERCK & CO., INC. (US) 1993-01-26 US disclosed
EP-0467434-A1 2-Biphenyl-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-01-22 EP disclosed
EP-0465126-A2 Carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-01-08 EP disclosed
EP-0464900-A2 2-Biphenyl-carbapenems MERCK & CO. INC. (US) 1992-01-08 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-20070282121-A1 INTERMEDIATES FOR THE SYNTHESIS OF POLYPROPIONATE ANTIBIOTICS DHPS, EMG1, RPN1 MAPK1 2600/4885CA4 4411/4885ALDH1A1 2566/4885
US-20230045939-A1 STABLE VACCINE AGAINST CLOSTRIDIUM DIFFICILE DDOST, SI, CD4 MAPK1 4334/4885CA4 1028/4885ALDH1A1 3748/4885

“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.