SCHEMBL162960

SCHEMBL162960

CCCOC(=O)n1ccc([O])n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
F2 P00734 1/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 5/20 0.40
LMNA P02545 1/20 0.39
JMJD6 Q6NYC1 1/20 0.38
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
ELANE P08246 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
BCHE P06276 1/20 0.33

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
SCHEMBL164431 0.90 KMT2A (0.52) KMT2AF2ALOX15ALDH1A1LMNA
SCHEMBL161442 0.88 KMT2A (0.48) KMT2AF2ALOX15LMNAJMJD6
SCHEMBL165474 0.77 KMT2A (0.38) KMT2AF2ALOX15ALDH1A1LMNA
SCHEMBL29991043 0.74 KMT2A (0.52) KMT2AF2ALOX15ALDH1A1LMNA
SCHEMBL4748490 0.74 KMT2A (0.52) KMT2AF2ALOX15ALDH1A1LMNA
SCHEMBL29741733 0.73 KMT2A (0.51) KMT2AF2ALOX15ALDH1A1LMNA
SCHEMBL12126286 0.72 KMT2A (0.49) KMT2AF2LMNAMEN1HPGD
SCHEMBL23852412 0.71 KMT2A (0.52) KMT2AF2ALOX15ALDH1A1LMNA
SCHEMBL3048673 0.70 KMT2A (0.48) KMT2AF2ALOX15ALDH1A1LMNA
SCHEMBL6489303 0.69 KMT2A (0.50) KMT2AF2ALOX15ALDH1A1LMNA

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 KMT2A 2544/4885F2 2978/4885ALOX15 417/4885

“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.