SCHEMBL158983

SCHEMBL158983

CC(C)OC(=O)c1ccc2cc3ccccc3cc2c1[O]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA12 O43570 6/20 0.45
CA1 P00915 6/20 0.45
CA2 P00918 6/20 0.45
CA7 P43166 6/20 0.45
CA9 Q16790 6/20 0.45
CA14 Q9ULX7 6/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL163509 0.86 KDM4E (0.48) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL161343 0.86 L3MBTL1 (0.41) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1164091 0.83 KDM4E (0.56) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL165293 0.83 ALDH1A1 (0.51) KDM4EALDH1A1CA12CA1CA2
SCHEMBL164724 0.82 KDM4E (0.45) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL164374 0.82 ALDH1A1 (0.56) KDM4EALDH1A1TP53NPC1RAB9A
SCHEMBL161664 0.79 MAOA (0.48) KDM4EALDH1A1LMNAGAAPKM
SCHEMBL163512 0.79 ALDH1A1 (0.41) KDM4EALDH1A1CYP1A2CYP2C19HPGD
SCHEMBL162383 0.79 TSHR (0.53) KDM4EALDH1A1CA12CA1CA2
SCHEMBL164007 0.77 ALDH1A1 (0.55) KDM4EALDH1A1HSD17B10LMNATP53

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 KDM4E 2214/4885ALDH1A1 1667/4885CYP1A2 4010/4885

“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.