SCHEMBL162900

SCHEMBL162900

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.49
ESR1 P03372 9/20 0.48
TSHR P16473 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
MAPK1 P28482 2/20 0.46
CYP2D6 P10635 1/20 0.46
NR1H2 P55055 1/20 0.46
RNASEL Q05823 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 1/20 0.45
PDE4D Q08499 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CNR1 P21554 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL164557 0.92 LMNA (0.51) CNR2ESR1TSHRL3MBTL1TDP1
SCHEMBL163764 0.87 KDM4E (0.50) L3MBTL1TDP1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL162777 0.87 TSHR (0.53) CNR2ESR1TSHRL3MBTL1TDP1
SCHEMBL162600 0.82 ESR1 (0.50) CNR2ESR1TSHRL3MBTL1TDP1
SCHEMBL159959 0.81 ALDH1A1 (0.47) TSHRL3MBTL1MAPK1ALDH1A1KDM4E
SCHEMBL166312 0.80 ALDH1A1 (0.47) TSHRALDH1A1KDM4E
SCHEMBL163059 0.79 LMNA (0.57) CNR2ESR1TSHRL3MBTL1TDP1
SCHEMBL15204459 0.78 GABRA1 (0.41) L3MBTL1LMNAMAPK1ALDH1A1KDM4E
SCHEMBL163094 0.78 SMN1; SMN2 (0.52) TSHRL3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL161846 0.77 TSHR (0.57) CNR2TSHRL3MBTL1TDP1LMNA

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 CNR2 3729/4885ESR1 4725/4885TSHR 4862/4885

“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.