SCHEMBL4455719

SCHEMBL4455719

CC(CCCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.35
RIPK1 Q13546 2/20 0.33
GPR88 Q9GZN0 1/20 0.32
KCNH3 Q9ULD8 1/20 0.32
HTT P42858 2/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
RRM1 P23921 1/20 0.30
SMYD2 Q9NRG4 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
SCHEMBL8175900 1.00 TRPA1 (0.35) TRPA1RIPK1GPR88KCNH3HTT
SCHEMBL17006157 0.95 TRPA1 (0.34) TRPA1RIPK1KCNH3HTTCYP3A4
SCHEMBL17006154 0.95 TRPA1 (0.34) TRPA1RIPK1KCNH3HTTCYP3A4
SCHEMBL19331709 0.95 TRPA1 (0.34) TRPA1RIPK1KCNH3HTTCYP3A4
SCHEMBL14564989 0.91 TRPA1 (0.40) TRPA1RIPK1KCNH3HTTCYP3A4
SCHEMBL27032153 0.91 TRPA1 (0.40) TRPA1RIPK1KCNH3HTTCYP3A4
SCHEMBL8391322 0.91 TRPA1 (0.40) TRPA1RIPK1KCNH3HTTCYP3A4
SCHEMBL4192489 0.87 TRPA1 (0.37) TRPA1RIPK1GPR88KCNH3
SCHEMBL4192491 0.87 TRPA1 (0.37) TRPA1RIPK1GPR88KCNH3
SCHEMBL19331751 0.87 ALDH1A1 (0.33) CYP3A4ALDH1A1RRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023119098-A1 PROTEIN KINASE C THETA INHIBITORS Galderma Holding SA (CH) 2023-06-29 WO disclosed
CN-112638868-B Fatty acid derivatives labeled with positron radionuclides 安斯泰来制药株式会社 2023-06-20 CN disclosed
US-7598289-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-10-06 US disclosed
US-7572825-B2 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-08-11 US disclosed
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-12-18 US disclosed
EP-1638544-B1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS UNIV ABERDEEN (GB) 2007-12-05 EP disclosed
US-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN, THE (GB) 2007-02-01 US disclosed
EP-1638544-A2 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS The University Court of The University of Aberdeen (GB) 2006-03-29 EP disclosed
WO-2004098582-A2 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2004-11-18 WO disclosed
WO-2000049019-A2 NOVEL EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT (DE) 2000-08-24 WO 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-20070027112-A1 Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions OXER1, ESRRA, NR5A1 TRPA1 4719/4885RIPK1 116/4885GPR88 446/4885
US-20080312186-A1 KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS AK1, IRAK1, CNKSR1 TRPA1 4651/4885RIPK1 69/4885GPR88 1383/4885

“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.