SCHEMBL23459101

SCHEMBL23459101

O=C1CCCCN(C(=O)O)C1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.43
PSEN2 P49810 4/20 0.43
APH1B Q8WW43 4/20 0.43
NCSTN Q92542 4/20 0.43
APH1A Q96BI3 4/20 0.43
PSENEN Q9NZ42 4/20 0.43
OPRK1 P41145 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
HSD11B1 P28845 1/20 0.40
NPC1 O15118 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MCL1 Q07820 1/20 0.39
FKBP1A P62942 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 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
SCHEMBL5747840 0.95 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL6998893 0.94 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL349926 0.89 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22157479 0.84 FAAH (0.43) OPRK1HRH3
SCHEMBL25698172 0.82 KLK7 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22157579 0.81 SIGMAR1 (0.40) OPRK1
SCHEMBL1844697 0.81 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10465831 0.80 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5353802 0.80 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16039463 0.80 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A

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
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 US disclosed
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2021-06-24 US disclosed
WO-2021113506-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2021-06-10 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 (2 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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 PSEN1 2346/4885PSEN2 2026/4885APH1B 2042/4885
US-20210188827-A1 ATM KINASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF ATM, CHEK2, CHEK1 PSEN1 2346/4885PSEN2 2026/4885APH1B 2042/4885

“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.