SCHEMBL163060

SCHEMBL163060

CCCOC(=O)c1cc(O)c2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
CNR2 P34972 1/20 0.52
ESR1 P03372 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CHRM1 P11229 1/20 0.51
TSHR P16473 1/20 0.51
SLC6A2 P23975 1/20 0.51
KDR P35968 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
SERPINE1 P05121 2/20 0.47
TYR P14679 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL162778 0.92 ESR1 (0.64) LMNACNR2ESR1TSHRTDP1
SCHEMBL163865 0.88 CA12 (0.57) ESR1ALDH1A1KDM4EL3MBTL1CA12
SCHEMBL163059 0.85 LMNA (0.57) LMNACNR2ESR1ALDH1A1CHRM1
SCHEMBL29036652 0.83 L3MBTL1 (0.44) CNR2ESR1ALDH1A1AKR1C4AKR1C3
SCHEMBL18258571 0.83 LMNA (0.54) LMNACNR2ESR1ALDH1A1CHRM1
SCHEMBL164016 0.81 ALDH1A1 (0.51) ALDH1A1TSHRTDP1KDM4EL3MBTL1
SCHEMBL669833 0.80 NQO2 (0.46) LMNAALDH1A1TDP1KDM4EPOLB
SCHEMBL161776 0.80 LMNA (0.56) LMNACNR2ALDH1A1TSHRTDP1
SCHEMBL6880564 0.78 ALDH1A1 (0.56) LMNAESR1ALDH1A1CHRM1TSHR
Propyl Gallate SCHEMBL22630 0.77 ESR1 (0.80) LMNAESR1ALDH1A1CHRM1TSHR

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 462/4885CNR2 3729/4885ESR1 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.