SCHEMBL17120959

SCHEMBL17120959

Cc1cc(C(C)C)c(N2CCN(c3c(C(C)C)cc(C)cc3C(C)C)C2)c(C(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
TRPA1 O75762 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL25808508 0.93 ALDH1A1 (0.41) LMNAALDH1A1MAPTPOLBHTT
SCHEMBL7873017 0.83 GABRA1 (0.41) LMNAALDH1A1
SCHEMBL1047507 0.81 ALDH1A1 (0.39) LMNASLC6A2HTR2BALDH1A1MAPT
Hydrochloric Acid SCHEMBL820072 0.79 ALDH1A1 (0.38) LMNASLC6A2HTR2BALDH1A1MAPT
Hydrochloric Acid SCHEMBL28689234 0.77 TYR (0.39) CHRM1HTR2BALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL28689235 0.77 TYR (0.39) CHRM1HTR2BALDH1A1MAPTHTT
SCHEMBL456981 0.77 GABRA1 (0.43) LMNASLC6A2HTR2BALDH1A1
Hydrochloric Acid SCHEMBL739371 0.75 GABRA1 (0.41) LMNASLC6A2HTR2BALDH1A1
SCHEMBL2737071 0.75 LMNA (0.32) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL12502897 0.74 ALDH1A1 (0.42) LMNAALDH1A1MAPTPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117658963-A Diastereoisomers of vitamin C derivatives, preparation and application thereof 上海克琴科技有限公司 2024-03-08 CN disclosed
US-9215876-B2 1,3,6-dioxazocan-2-ones and antimicrobial cationic polycarbonates therefrom INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-12-22 US disclosed
US-20150264932-A1 1,3,6-DIOXAZOCAN-2-ONES AND ANTIMICROBIAL CATIONIC POLYCARBONATES THEREFROM AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-24 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 (1 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-20150264932-A1 1,3,6-DIOXAZOCAN-2-ONES AND ANTIMICROBIAL CATIONIC POLYCARBONATES THEREFROM WEE1, WEE2, THEM6 LMNA 3453/4885TRPA1 2475/4885CHRM1 2326/4885

“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.