SCHEMBL25713291

SCHEMBL25713291

O=C1c2cc(F)ccc2CC12CCCCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ACHE P22303 1/20 0.39
PARP1 P09874 1/20 0.39
PARP10 Q53GL7 1/20 0.39
LRRK2 Q5S007 1/20 0.38
SRD5A1 P18405 1/20 0.38
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
BCL2L11 O43521 2/20 0.35
HTR1A P08908 2/20 0.35
ADRA1D P25100 2/20 0.35

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
SCHEMBL28464048 0.84 PARP1 (0.44) CA1CA2CA7CA9ACHE
SCHEMBL8779154 0.83 PARP1 (0.46) CA1CA2CA7CA9ACHE
SCHEMBL24376604 0.79 CA1 (0.44) CA1CA2CA7CA9ACHE
SCHEMBL30486561 0.78 OTUD7B (0.36) CA1CA2CA7CA9ACHE
SCHEMBL562013 0.77 CA1 (0.43) CA1CA2CA7CA9ACHE
SCHEMBL30303547 0.75 ALDH1A1 (0.57) ALDH1A1POLBADRA1DADRA1AADRA1B
SCHEMBL25713209 0.75 ALDH1A1 (0.57) ALDH1A1POLBADRA1DADRA1AADRA1B
SCHEMBL28450254 0.75 TNKS (0.43) CA1CA2CA7CA9ACHE
SCHEMBL11545783 0.75 HDAC4 (0.37) CA1CA2CA7CA9ACHE
SCHEMBL9948561 0.75 TDP1 (0.44) CA1CA2CA7CA9PARP1

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-11685748-B2 Spiro aromatic ring compound and application thereof ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2023-06-27 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-11685748-B2 Spiro aromatic ring compound and application thereof PTPN1, PTPN11, PTPN5 CA1 2126/4885CA2 1174/4885CA7 2055/4885

“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.