SCHEMBL754087

SCHEMBL754087

CC(C)(C)[Si](Oc1ccc(CBr)cc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LTA4H P09960 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.30
MAOB P27338 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
SCHEMBL3540870 0.84 LTA4H (0.49) TSHRLTA4H
SCHEMBL11957421 0.84 MAOB (0.47) SMN1; SMN2MAOB
SCHEMBL20954586 0.83 BCHE (0.46) ALDH1A1SMN1; SMN2
SCHEMBL704145 0.82 CA4 (0.37) ALDH1A1TSHRLTA4HSMN1; SMN2
SCHEMBL6058734 0.81 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL25255096 0.81 TAAR1 (0.46) SMN1; SMN2MAOB
SCHEMBL3682169 0.81 PPARG (0.39) LTA4HSMN1; SMN2
SCHEMBL27600931 0.80 CA4 (0.46) TRPA1ALDH1A1CES2CES1LTA4H
SCHEMBL7095572 0.79 MAOB (0.50) SMN1; SMN2MAOB
SCHEMBL863227 0.79 GSK3B (0.51) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835742-B Fluorescent probe for detecting fluoride ions and preparation method and application thereof 上海应用技术大学 2024-01-23 CN claimed
CN-111518128-B Fluorescent probe for detecting fluorine ions and preparation method and application thereof 上海应用技术大学 2022-08-23 CN claimed
CN-115260165-B Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2024-08-06 CN disclosed
CN-114835742-B Fluorescent probe for detecting fluoride ions and preparation method and application thereof 上海应用技术大学 2024-01-23 CN disclosed
CN-115260165-A Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof 中国科学院上海药物研究所 2022-11-01 CN disclosed
CN-111518128-B Fluorescent probe for detecting fluorine ions and preparation method and application thereof 上海应用技术大学 2022-08-23 CN disclosed
CN-111518128-A Fluorescent probe for detecting fluorine ions and preparation method and application thereof 上海应用技术大学 2020-08-11 CN disclosed
EP-2430004-B1 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-8329686-B2 Isatin analogues and uses therefor WASHINGTON UNIVERSITY (US) 2012-12-11 US disclosed
US-8329706-B2 Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-11 US disclosed
US-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
EP-2430004-A2 NOVEL OXAZOLIDINONE DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-21 EP disclosed
WO-2010131192-A2 NOVEL OXAZOLIDINONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed
US-7705188-B2 Structural modification of resveratrol: sodium resverastatin phosphate Arizona Board of Regents, a body corporate of the State of Arizona, Acting for and on Behalf of the Arizona State University (US) 2010-04-27 US disclosed
US-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR WASHINGTON UNIVERSITY IN ST. LOUIS 2009-03-12 US disclosed
US-20050240062-A1 Structural modification of resveratrol: Sodium resverastatin phosphate NATIONAL INSTITUTES OF HEALTH 2005-10-27 US disclosed
WO-2003086414-A1 STRUCTURAL MODIFICATION OF RESVERATROL: SODIUM RESVERASTATIN PHOSPHATE ARIZONA BOARD OF REGENTS (US) 2003-10-23 WO disclosed
WO-1995031461-A1 PREPARATION OF 2-ARYL CARBAPENEMS MERCK & CO., INC. (US) 1995-11-23 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 (3 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-20120101111-A1 NOVEL OXAZOLIDINONE DERIVIATIVES HCRTR2, HCRTR1, NPY4R TRPA1 646/4885ALDH1A1 715/4885TSHR 135/4885
US-20050240062-A1 Structural modification of resveratrol: Sodium resverastatin phosphate PI4KB, HDAC4, PIK3CA TRPA1 4279/4885ALDH1A1 3559/4885TSHR 4086/4885
US-20090068105-A1 ISATIN ANALOGUES AND USES THEREFOR CASP7, CASP3, HASPIN TRPA1 3986/4885ALDH1A1 2911/4885TSHR 4234/4885

“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.