SCHEMBL161846

SCHEMBL161846

CCCCOC(=O)c1ccc2c(ccc3ccccc32)c1[O]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.57
TDP1 Q9NUW8 3/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
MAPK1 P28482 3/20 0.52
CYP3A4 P08684 2/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 8/20 0.51
LMNA P02545 2/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 5/20 0.49
CNR1 P21554 3/20 0.47
CNR2 P34972 3/20 0.47
POLB P06746 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
KDM4A O75164 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
CYP2C9 P11712 1/20 0.43
CDC25B P30305 1/20 0.43
GAA P10253 2/20 0.43
GLA P06280 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
SCHEMBL163617 0.93 TSHR (0.62) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL161248 0.92 ALDH1A1 (0.55) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL162793 0.86 CDC25B (0.57) TSHRTDP1L3MBTL1MAPK1TP53
SCHEMBL163565 0.85 ALDH1A1 (0.60) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL163609 0.84 TSHR (0.57) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL561204 0.83 TSHR (0.64) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL2492618 0.83 TSHR (0.66) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL10726702 0.82 TSHR (0.62) TSHRTDP1L3MBTL1MAPK1CYP3A4
Phenanthrene SCHEMBL27902537 0.81 ALDH1A1 (0.79) TSHRTDP1L3MBTL1MAPK1CYP3A4
SCHEMBL29649093 0.80 TSHR (0.73) TSHRTDP1L3MBTL1MAPK1CYP3A4

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 TSHR 4862/4885TDP1 56/4885L3MBTL1 1654/4885

“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.