SCHEMBL29317145

SCHEMBL29317145

OCCN1CCOC[C@@H]1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
AGTR2 P50052 1/20 0.42
ATM Q13315 2/20 0.40
TSHR P16473 1/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
POLB P06746 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL824892 1.00 DPP4 (0.42) DPP4AGTR2ATMTSHRPIK3CA
SCHEMBL14995124 0.83
Nitric Acid SCHEMBL10640882 0.83 DPP4 (0.38) DPP4AGTR2ATMPIK3CAPIK3CD
SCHEMBL25733592 0.82 PIK3CA (0.42) DPP4AGTR2ATMTSHRPIK3CA
SCHEMBL19867145 0.82 PIK3CA (0.42) DPP4AGTR2ATMTSHRPIK3CA
SCHEMBL11687472 0.81 KCNH2 (0.51)
SCHEMBL351195 0.78 DPP4 (0.46) DPP4AGTR2ATMTSHRPIK3CA
SCHEMBL13634926 0.78 PIK3CA (0.44) DPP4AGTR2ATMTSHRPIK3CA
SCHEMBL14645846 0.78 GRIN2D (0.46) DPP4AGTR2PIK3CAPIK3CDPIK3CB
SCHEMBL6174357 0.77 ALDH1A1 (0.51) ALDH1A1LMNAMAPTNPSR1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239805-A1 AZA-YANG CYCLIZATION-BUCHNER AROMATIC RING EXPANSION: COLLECTIVE SYNTHESIS OF CYCLOHEPTATRIENE-CONTAINING AZETIDINE LACTONES UNIVERSITY OF KANSAS 2024-07-18 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-20240239805-A1 AZA-YANG CYCLIZATION-BUCHNER AROMATIC RING EXPANSION: COLLECTIVE SYNTHESIS OF CYCLOHEPTATRIENE-CONTAINING AZETIDINE LACTONES AZI2, NISCH, TET2 DPP4 2919/4885AGTR2 191/4885ATM 2863/4885

“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.