SCHEMBL996868

SCHEMBL996868

C[Sn](C)(C)c1ccc(C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.52
ALDH1A1 P00352 9/20 0.46
TYR P14679 1/20 0.46
CYP2A13 Q16696 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
ALDH1A3 P47895 2/20 0.43
ALDH3A1 P30838 1/20 0.43
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.37
EGFR P00533 1/20 0.37
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
PTGS2 P35354 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL4956384 0.76 CYP2A6 (0.69) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL1593230 0.76
SCHEMBL31171 0.76 CYP2A6 (0.69) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
Hydrochloric Acid SCHEMBL28807787 0.73 CYP2A6 (0.65) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
Water SCHEMBL29197442 0.73 CYP2A6 (0.65) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL339657 0.72 ALDH1A1 (0.48) CYP2A6ALDH1A1CYP2A13KDM4ETSHR
Formaldehyde SCHEMBL20477527 0.70 CYP2A6 (0.61) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL8469408 0.69 CYP2A6 (1.00) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
P-Xylene SCHEMBL10939332 0.69 CYP2A6 (1.00) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL29171 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117088909-A Method for producing aryltrimethylstannane compound 上海致同建设工程科技有限公司 2023-11-21 CN claimed
US-12534429-B2 Heterodimers of glutamic acid MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2026-01-27 US disclosed
CN-117088909-A Method for producing aryltrimethylstannane compound 上海致同建设工程科技有限公司 2023-11-21 CN disclosed
US-20230095637-A1 Heterodimers of Glutamic Acid CITIZENS BANK, N.A. 2023-03-30 US disclosed
EP-4023624-A1 HETERODIMERS OF GLUTAMIC ACID Molecular Insight Pharmaceuticals, Inc. (US) 2022-07-06 EP disclosed
EP-3699162-B1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARM INC (US) 2022-06-29 EP disclosed
US-20210246103-A1 HETERODIMERS OF GLUTAMIC ACID CITIZENS BANK, N.A. 2021-08-12 US disclosed
US-20210070695-A1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2021-03-11 US disclosed
US-20210070696-A1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2021-03-11 US disclosed
EP-3335736-B1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARM INC (US) 2020-12-30 EP disclosed
US-8487129-B2 Heterodimers of glutamic acid MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2013-07-16 US disclosed
US-8465725-B2 Process for production of heterodimers of glutamic acid Molecular Insight Pharmaceuticlas, Inc. (US) 2013-06-18 US disclosed
US-20120269726-A1 Heterodimers of Glutamic Acid MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2012-10-25 US disclosed
US-20120208988-A1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHTS PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20110008253-A1 PROCESS FOR PRODUCTION OF HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2011-01-13 US disclosed
WO-2010147965-A2 PROCESS FOR PRODUCTION OF HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
EP-2097111-A2 HETERODIMERS OF GLUTAMIC ACID Molecular Insight Pharmaceuticals, Inc. (US) 2009-09-09 EP disclosed
US-20080193381-A1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008058192-A2 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2008-05-15 WO disclosed
EP-0444889-A1 Novel synthesis of carbapenem intermediates MERCK & CO. INC. (US) 1991-09-04 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 (9 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-20210070695-A1 HETERODIMERS OF GLUTAMIC ACID DDO, GLUL, ASNS CYP2A6 785/4885ALDH1A1 2259/4885TYR 2323/4885
US-12534429-B2 Heterodimers of glutamic acid FOLH1, GLUL, SLC25A13 CYP2A6 852/4885ALDH1A1 1911/4885TYR 2060/4885
US-20110008253-A1 PROCESS FOR PRODUCTION OF HETERODIMERS OF GLUTAMIC ACID GLUL, GCLC, GLRA2 CYP2A6 1500/4885ALDH1A1 1808/4885TYR 1829/4885
US-20120269726-A1 Heterodimers of Glutamic Acid DDO, GLUL, ASNS CYP2A6 807/4885ALDH1A1 2242/4885TYR 2344/4885
US-20080193381-A1 HETERODIMERS OF GLUTAMIC ACID DDO, GLUL, ASNS CYP2A6 785/4885ALDH1A1 2259/4885TYR 2323/4885
US-20210070696-A1 HETERODIMERS OF GLUTAMIC ACID DDO, GLUL, ASNS CYP2A6 784/4885ALDH1A1 2269/4885TYR 2331/4885
US-20120208988-A1 HETERODIMERS OF GLUTAMIC ACID DDO, GLUL, ASNS CYP2A6 785/4885ALDH1A1 2259/4885TYR 2323/4885
US-20230095637-A1 Heterodimers of Glutamic Acid DDO, GLUL, ASNS CYP2A6 704/4885ALDH1A1 2182/4885TYR 2378/4885
US-20210246103-A1 HETERODIMERS OF GLUTAMIC ACID DDO, GLUL, ASNS CYP2A6 785/4885ALDH1A1 2259/4885TYR 2323/4885

“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.