SCHEMBL4831256

SCHEMBL4831256

Cn1ncc(CCC(=O)O)c1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
CYP2C9 P11712 1/20 0.46
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
MAP4K4 O95819 1/20 0.41
GAA P10253 1/20 0.41
KMO O15229 2/20 0.40
FFAR4 Q5NUL3 6/20 0.40
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
RXRG P48443 2/20 0.40
GABRP O00591 1/20 0.40

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
SCHEMBL4835543 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDCYP2C9MAPT
SCHEMBL4829135 0.83 TSHR (0.48) ALDH1A1TSHRKDM4EMAPTPOLB
SCHEMBL12871465 0.81 PRMT5 (0.43) ALDH1A1
SCHEMBL4834035 0.75 ENPP2 (0.46) MAPTPOLB
SCHEMBL4826921 0.73 CCNC (0.49) ALDH1A1KDM4EHPGDMAPTPKM
SCHEMBL4826934 0.73 CCNC (0.49) ALDH1A1KDM4EHPGDMAPTPKM
SCHEMBL4826251 0.73 HTR2A (0.42) MAPTPOLBGAA
SCHEMBL28433579 0.72 L3MBTL1 (0.45) ALDH1A1MAPTPOLBHSD17B10GAA
SCHEMBL4837046 0.72 HTR2A (0.39) MAPTPOLB
SCHEMBL4829107 0.70 PRMT5 (0.40) ALDH1A1KDM4EHPGDMAPTHSD17B10

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-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885TSHR 1173/4885KDM4E 4406/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885TSHR 1173/4885KDM4E 4406/4885

“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.