SCHEMBL17006157

SCHEMBL17006157

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 1/20 0.33
RIPK1 Q13546 2/20 0.33
HTT P42858 2/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RRM1 P23921 1/20 0.32
KCNH3 Q9ULD8 1/20 0.32
TACR3 P29371 2/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL19331709 1.00 TRPA1 (0.34) TRPA1ALDH1A1RIPK1HTTATM
SCHEMBL17006154 1.00 TRPA1 (0.34) TRPA1ALDH1A1RIPK1HTTATM
SCHEMBL8175900 0.95 TRPA1 (0.35) TRPA1ALDH1A1RIPK1HTTATM
SCHEMBL4455719 0.95 TRPA1 (0.35) TRPA1ALDH1A1RIPK1HTTATM
SCHEMBL19331751 0.91 ALDH1A1 (0.33) ALDH1A1RRM1TACR3CYP3A4
SCHEMBL19331696 0.91 ALDH1A1 (0.32) ALDH1A1RRM1TACR3CYP3A4SMN1; SMN2
SCHEMBL14564989 0.89 TRPA1 (0.40) TRPA1RIPK1HTTKCNH3CYP3A4
SCHEMBL8391322 0.89 TRPA1 (0.40) TRPA1RIPK1HTTKCNH3CYP3A4
SCHEMBL27032153 0.89 TRPA1 (0.40) TRPA1RIPK1HTTKCNH3CYP3A4
SCHEMBL25764380 0.88 ALDH1A1 (0.31) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250032453-A1 20-HETE RECEPTOR (GPR75) ANTAGONISTS AND METHODS OF USE NEW YORK MEDICAL COLLEGE 2025-01-30 US disclosed
US-20240041831-A1 20-HETE RECEPTOR (GPR75) ANTAGONISTS AND METHODS OF USE NEW YORK MEDICAL COLLEGE 2024-02-08 US disclosed
US-11690825-B2 20-HETE receptor (GPR75) antagonists and methods of use BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-04 US disclosed
US-20200030291-A1 20-HETE RECEPTOR (GPR75) ANTAGONISTS AND METHODS OF USE NEW YORK MEDICAL COLLEGE 2020-01-30 US disclosed
WO-2017156164-A1 20-HETE RECEPTOR (GPR75) ANTAGONISTS AND METHODS OF USE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-09-14 WO disclosed
US-9273067-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
US-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 US 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-20240041831-A1 20-HETE RECEPTOR (GPR75) ANTAGONISTS AND METHODS OF USE GPR55, GPR65, GPR35 TRPA1 524/4885ALDH1A1 2622/4885RIPK1 1470/4885
US-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication TYMP, EIF2AK2, MAVS TRPA1 4809/4885ALDH1A1 3005/4885RIPK1 441/4885
US-20250032453-A1 20-HETE RECEPTOR (GPR75) ANTAGONISTS AND METHODS OF USE GPR55, GPR65, GPR35 TRPA1 524/4885ALDH1A1 2622/4885RIPK1 1470/4885
US-20200030291-A1 20-HETE RECEPTOR (GPR75) ANTAGONISTS AND METHODS OF USE GPR55, GPR65, GPR35 TRPA1 524/4885ALDH1A1 2622/4885RIPK1 1470/4885
US-11690825-B2 20-HETE receptor (GPR75) antagonists and methods of use GPR55, GPR65, GPR35 TRPA1 524/4885ALDH1A1 2622/4885RIPK1 1470/4885

“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.