SCHEMBL22117205

SCHEMBL22117205

C=CCCCNCCCCCO

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ABCC4 O15439 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 1/20 0.31
DDAH1 O94760 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
SCHEMBL22117190 1.00 TSHR (0.36) TSHRABCC4MAPTALDH1A1LMNA
SCHEMBL22117197 0.98 ALDH1A1 (0.35) TSHRABCC4MAPTALDH1A1LMNA
SCHEMBL22117284 0.95 TSHR (0.41) TSHRABCC4MAPTALDH1A1LMNA
SCHEMBL22117270 0.95 TSHR (0.41) TSHRABCC4MAPTALDH1A1LMNA
SCHEMBL22117235 0.95 TSHR (0.41) TSHRABCC4MAPTALDH1A1LMNA
SCHEMBL22117222 0.95 TSHR (0.41) TSHRABCC4MAPTALDH1A1LMNA
SCHEMBL22117251 0.95 TSHR (0.41) TSHRABCC4MAPTALDH1A1LMNA
SCHEMBL22117260 0.93 TSHR (0.37) TSHRABCC4MAPTALDH1A1LMNA
SCHEMBL22117229 0.91 CA1 (0.34) TSHRABCC4MAPTALDH1A1LMNA
SCHEMBL7764116 0.91 CA1 (0.34) TSHRABCC4MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220071971-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2022-03-10 US disclosed
EP-3898621-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2021-10-27 EP disclosed
CN-113227087-A Macrocyclic compounds and their use in the treatment of disease 诺华股份有限公司 2021-08-06 CN disclosed
WO-2020128925-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2020-06-25 WO disclosed
WO-2020128925-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2020-06-25 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 (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-20220071971-A1 MACROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, PKD1, PKD2 TSHR 1576/4885ABCC4 10/4885MAPT 4846/4885

“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.