SCHEMBL27427396

SCHEMBL27427396

N#Cc1ccc(C(=O)CCC2OCCO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.51
SIGMAR1 Q99720 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR7 P34969 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2B P41595 1/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 2/20 0.40
NSD2 O96028 2/20 0.40
NPC1 O15118 1/20 0.40
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
CD274 Q9NZQ7 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
SCHEMBL3303126 0.94 GSK3B (0.49) GSK3BSIGMAR1CA1CA2HTR1A
SCHEMBL17064427 0.81 SIGMAR1 (0.56) GSK3BSIGMAR1CA1CA2HTR1A
SCHEMBL3392114 0.79 KMT2A (0.51) GSK3BPOLBHSD11B1ALDH1A1MAPT
SCHEMBL7287642 0.79 KMT2A (0.53) GSK3BDRD2RAB9ANPC1HSD11B1
SCHEMBL7210582 0.79 NPC1 (0.56) HTR1ADRD2HTR7DRD3RAB9A
SCHEMBL7284408 0.79 NPC1 (0.54) GSK3BPOLBRAB9ANPC1ALDH1A1
SCHEMBL7287661 0.78 MAPT (0.52) SIGMAR1POLBRAB9ANPC1ALDH1A1
SCHEMBL4580153 0.77 S1PR3 (0.40) NPC1
SCHEMBL21726649 0.77 GSK3B (0.50) GSK3BSIGMAR1CA1CA2HTR1A
SCHEMBL8281524 0.76 KMO (0.33) GSK3BMAPT

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-20240217953-A1 BICYCLIC SUBSTITUTED AROMATIC CARBOXYLIC ACID COMPOUNDS CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-07-04 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-20240217953-A1 BICYCLIC SUBSTITUTED AROMATIC CARBOXYLIC ACID COMPOUNDS C9, CFB, C5 GSK3B 4621/4885SIGMAR1 3856/4885CA1 1986/4885

“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.