SCHEMBL163059

SCHEMBL163059

CCCOC(=O)c1cc([O])c2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
ALDH1A1 P00352 7/20 0.50
ESR1 P03372 1/20 0.47
CHRM1 P11229 1/20 0.47
TSHR P16473 1/20 0.47
SLC6A2 P23975 1/20 0.47
KDR P35968 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MAOB P27338 2/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.43
ELANE P08246 1/20 0.43
CNR2 P34972 1/20 0.43
NPC1 O15118 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL162777 0.92 TSHR (0.53) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL161660 0.89 LMNA (0.54) LMNAALDH1A1ESR1CHRM1TSHR
SCHEMBL163864 0.88 CA12 (0.53) ALDH1A1ESR1TSHRKDRKDM4E
SCHEMBL164557 0.86 LMNA (0.51) LMNAALDH1A1ESR1CHRM1TSHR
SCHEMBL163060 0.85 LMNA (0.57) LMNAALDH1A1ESR1CHRM1TSHR
SCHEMBL18258571 0.83 LMNA (0.54) LMNAALDH1A1ESR1CHRM1TSHR
SCHEMBL164015 0.81 ALDH1A1 (0.51) ALDH1A1TSHRTDP1KDM4EMAOB
SCHEMBL162600 0.81 ESR1 (0.50) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL161775 0.80 ALDH1A1 (0.50) LMNAALDH1A1TSHRTDP1KDM4E
SCHEMBL162900 0.79 CNR2 (0.49) LMNAALDH1A1ESR1TSHRTDP1

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 LMNA 462/4885ALDH1A1 1667/4885ESR1 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.