SCHEMBL161660

SCHEMBL161660

CCCOC(=O)c1cc([O])c2cc3ccccc3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
ALDH1A1 P00352 8/20 0.47
ESR1 P03372 2/20 0.45
CHRM1 P11229 1/20 0.45
TSHR P16473 1/20 0.45
SLC6A2 P23975 1/20 0.45
KDR P35968 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HRH3 Q9Y5N1 2/20 0.45
KDM4E B2RXH2 3/20 0.44
DRD3 P35462 1/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
POLB P06746 1/20 0.42
STS P08842 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL162600 0.92 ESR1 (0.50) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL160305 0.89 CA12 (0.50) LMNAALDH1A1ESR1TSHRKDM4E
SCHEMBL163059 0.89 LMNA (0.57) LMNAALDH1A1ESR1CHRM1TSHR
SCHEMBL163231 0.82 ALDH1A1 (0.49) ALDH1A1TSHRTDP1HRH3KDM4E
SCHEMBL164557 0.81 LMNA (0.51) LMNAALDH1A1ESR1CHRM1TSHR
SCHEMBL162792 0.81 TSHR (0.47) LMNAALDH1A1TSHRSLC6A2TDP1
SCHEMBL162777 0.81 TSHR (0.53) LMNAALDH1A1ESR1TSHRTDP1
SCHEMBL15205021 0.78 GABRA1 (0.40) LMNAALDH1A1KDM4EMAPTKMT2A
SCHEMBL163060 0.77 LMNA (0.57) LMNAALDH1A1ESR1CHRM1TSHR
SCHEMBL163819 0.77 CA12 (0.50) LMNAALDH1A1KDM4EMAPTKMT2A

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.