SCHEMBL164557

SCHEMBL164557

CCCOC(=O)c1cc([O])c2ccc3ccccc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
ALDH1A1 P00352 7/20 0.45
ESR1 P03372 1/20 0.43
CHRM1 P11229 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
KDR P35968 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 5/20 0.42
MAOB P27338 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CNR2 P34972 1/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 1/20 0.42
ELANE P08246 1/20 0.40
CDC25B P30305 1/20 0.40
POLB P06746 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
TP53 P04637 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
SCHEMBL162900 0.92 CNR2 (0.49) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL163764 0.89 KDM4E (0.50) ALDH1A1TDP1KDM4EMAPTHPGD
SCHEMBL163059 0.86 LMNA (0.57) LMNAALDH1A1ESR1CHRM1TSHR
SCHEMBL159959 0.83 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EMAPTHPGD
SCHEMBL166312 0.82 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EMAPTHPGD
SCHEMBL161660 0.81 LMNA (0.54) LMNAALDH1A1ESR1CHRM1TSHR
SCHEMBL15204459 0.80 GABRA1 (0.41) LMNAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL163117 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL164762 0.78 NPC1 (0.49) LMNAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL162777 0.78 TSHR (0.53) 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.