SCHEMBL4841820

SCHEMBL4841820

ON=C(Cl)c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.46
HPGD P15428 7/20 0.46
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA1 P00915 1/20 0.44
HMGB1 P09429 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
HSD17B10 Q99714 4/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 2/20 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
SCHEMBL4841809 1.00 KDM4E (0.46) KDM4EHPGDALDH1A1KMT2ANPC1
SCHEMBL8778837 0.76 CES2 (0.50) KDM4EHPGDALDH1A1KMT2ANPC1
SCHEMBL1314838 0.76 CES2 (0.50) KDM4EHPGDALDH1A1KMT2ANPC1
SCHEMBL29692098 0.76 CES2 (0.50) KDM4EHPGDALDH1A1KMT2ANPC1
SCHEMBL31204160 0.76 CES2 (0.50) KDM4EHPGDALDH1A1KMT2ANPC1
SCHEMBL1314837 0.76 CES2 (0.50) KDM4EHPGDALDH1A1KMT2ANPC1
SCHEMBL28147978 0.76 KDM4E (0.45) KDM4EHPGDALDH1A1KMT2ANPC1
SCHEMBL5075064 0.75 KDM4E (0.50) KDM4EHPGDALDH1A1KMT2ANPC1
SCHEMBL2119207 0.74 ALDH1A1 (0.56) HPGDALDH1A1KMT2ANPC1MEN1
SCHEMBL406589 0.74 TSHR (0.39) HPGDNPC1SMN1; SMN2TSHRRAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1484325-B1 ISOXAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE & TECH AGENCY (JP) 2014-06-18 EP disclosed
US-7453001-B2 Such as, ethyl 3-(2-hydroxyphenyl)-6-methyl4-oxo4,5,6,7-tetrahydrobenzo[d]isoxazole-5-carboxylate; intermediates JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-11-18 US disclosed
US-7342036-B2 Isoxazole derivatives and process for producing the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-03-11 US disclosed
US-20080058530-A1 ISOXAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-03-06 US disclosed
US-20050026978-A1 Isoxazole derivatives and process for producing the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-02-03 US disclosed
EP-1484325-A1 ISOXAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Japan Science and Technology Agency (JP) 2004-12-08 EP 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 (2 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-20050026978-A1 Isoxazole derivatives and process for producing the same CYP1A1, CYP1A2, CYP2E1 KDM4E 3642/4885HPGD 640/4885ALDH1A1 67/4885
US-20080058530-A1 ISOXAZOLE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME CYP1A1, CYP1A2, CYP2E1 KDM4E 3642/4885HPGD 640/4885ALDH1A1 67/4885

“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.