SCHEMBL5030604

SCHEMBL5030604

C[C@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.39
SMYD2 Q9NRG4 2/20 0.35
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.33
ELANE P08246 1/20 0.32
CYP1A2 P05177 2/20 0.32
KDM4E B2RXH2 1/20 0.32
AGTR1 P30556 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL5030605 1.00 TRPA1 (0.39) TRPA1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL5923195 1.00 TRPA1 (0.39) TRPA1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL8466374 0.89 TRPA1 (0.36) TRPA1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL23689304 0.88 TRPA1 (0.41) TRPA1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL14481752 0.88 TRPA1 (0.41) TRPA1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL27450106 0.88 TRPA1 (0.41) TRPA1SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL218117 0.85 CYP1A2 (0.42) CYP3A4HTTSMN1; SMN2LMNACYP1A2
SCHEMBL2531862 0.85 CYP1A2 (0.42) CYP3A4HTTSMN1; SMN2LMNACYP1A2
SCHEMBL21873649 0.85 CYP1A2 (0.42) CYP3A4HTTSMN1; SMN2LMNACYP1A2
SCHEMBL9007744 0.85 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114644627-B AhR inhibitors and uses thereof 山东轩竹医药科技有限公司 2024-06-11 CN disclosed
CN-115698005-B Fused ring AhR inhibitors 山东轩竹医药科技有限公司 2024-02-06 CN disclosed
CN-116940552-A Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2023-10-24 CN disclosed
US-11634449-B2 Macrolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-25 US disclosed
US-20230109357-A1 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-06 US disclosed
CN-115698005-A Fused ring AhR inhibitors 山东轩竹医药科技有限公司 2023-02-03 CN disclosed
EP-4095146-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE President And Fellows Of Harvard College (US) 2022-11-30 EP disclosed
US-20220332747-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-10-20 US disclosed
US-11466046-B2 14-membered ketolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-10-11 US disclosed
WO-2022127753-A1 FUSED RING AHR INHIBITOR 山东轩竹医药科技有限公司 2022-06-23 WO disclosed
WO-2016057798-A1 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-04-14 WO disclosed
WO-2016057798-A1 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-04-14 WO disclosed
EP-2988597-A2 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE President and Fellows of Harvard College (US) 2016-03-02 EP disclosed
US-20160052951-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-02-25 US disclosed
WO-2014165792-A2 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-09 WO disclosed
WO-2014165792-A2 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-09 WO disclosed
EP-1939191-A1 Furan derivatives, method of synthesis and uses thereof Neuropharma S.A. (ES) 2008-07-02 EP disclosed
US-6982257-B1 Vitamin D3 derivative and its production method TEIJIN LIMITED (JP) 2006-01-03 US disclosed
EP-0957088-B1 VITAMIN D3 DERIVATIVES AND PROCESS FOR PRODUCING THE SAME TEIJIN LTD (JP) 2002-12-18 EP disclosed
EP-0957088-A1 VITAMIN D3 DERIVATIVES AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 1999-11-17 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 (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-11466046-B2 14-membered ketolides and methods of their preparation and use CYP51A1, KHK, HSD17B7 TRPA1 4795/4885SMYD2 3583/4885CYP3A4 12/4885
US-20220332747-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE CYP11B2, ERG28, DHCR7 TRPA1 4643/4885SMYD2 2895/4885CYP3A4 133/4885
US-20160052951-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE CYP11B2, ERG28, DHCR7 TRPA1 4643/4885SMYD2 2895/4885CYP3A4 133/4885
US-11634449-B2 Macrolides and methods of their preparation and use CYP11B2, ERG28, DHCR7 TRPA1 4643/4885SMYD2 2895/4885CYP3A4 133/4885
US-20230109357-A1 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE CYP51A1, KHK, HSD17B7 TRPA1 4795/4885SMYD2 3583/4885CYP3A4 12/4885

“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.