SCHEMBL164496

SCHEMBL164496

CCCOC(=O)c1cc([O])c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.43
ESR1 P03372 2/20 0.42
CHRM1 P11229 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A2 P23975 1/20 0.42
KDR P35968 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL159942 0.90 GPR84 (0.48) LMNAESR1TSHRTDP1GPR84
SCHEMBL162674 0.86 GABRP (0.50) ALDH1A1LMNATSHRBAZ2BBAZ2A
SCHEMBL162809 0.78 ALDH1A1 (0.48) ALDH1A1TSHRTDP1BAZ2BBAZ2A
SCHEMBL162449 0.76 BAZ2B (0.56) ALDH1A1LMNABAZ2BBAZ2AKDM4E
SCHEMBL166187 0.73 ALDH1A1 (0.43) ALDH1A1TSHRTDP1BAZ2BBAZ2A
SCHEMBL28921632 0.72 ALDH1A1 (0.57) ALDH1A1LMNAESR1CHRM1TSHR
SCHEMBL161604 0.71 KDM4E (0.45) ALDH1A1LMNABAZ2BBAZ2AKDM4E
SCHEMBL162195 0.71 ALDH1A1 (0.38) ALDH1A1LMNABAZ2BBAZ2AGABRP
SCHEMBL878589 0.70 AR (0.44) ALDH1A1LMNATDP1
SCHEMBL9496881 0.70 ALDH1A1 (0.55) ALDH1A1LMNAESR1CHRM1TSHR

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-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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 (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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 ALDH1A1 1667/4885LMNA 462/4885ESR1 4725/4885

“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.