SCHEMBL9944386

SCHEMBL9944386

COc1cc(C(=O)OC(C)C)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.55
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 3/20 0.43
KDM6B O15054 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43
PDCD1 Q15116 1/20 0.42

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
SCHEMBL17761 0.83 KDM4E (0.61) JMJD6CA12CA1CA2CA7
SCHEMBL29587235 0.83 KDM4E (0.61) JMJD6CA12CA1CA2CA7
SCHEMBL15122162 0.82 JMJD6 (0.56) JMJD6CA12CA1CA2CA7
SCHEMBL10772838 0.81 JMJD6 (0.76) JMJD6CA12CA1CA2CA7
SCHEMBL15253922 0.80 JMJD6 (0.57) JMJD6CA12CA1CA2CA7
SCHEMBL13890753 0.80 KCNK3 (0.48) KCNK3KCNK9KDM4EKDM6BKDM5C
SCHEMBL1974937 0.80 JMJD6 (0.57) JMJD6CA12CA1CA2CA7
SCHEMBL27841468 0.79 KCNK3 (0.52) KCNK3KCNK9KDM4EKDM6BKDM5C
SCHEMBL3114077 0.79 JMJD6 (0.56) JMJD6CA12CA1CA2CA7
SCHEMBL27953096 0.79 JMJD6 (0.56) JMJD6CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846291-B2 Resist composition, method of forming resist pattern, and new compound TOKYO OHKA KOGYO CO. LTD. (JP) 2014-09-30 US disclosed
US-20120148955-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND NEW COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2012-06-14 US 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-20120148955-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, AND NEW COMPOUND C1R, SLC11A2, RER1 JMJD6 3866/4885CA12 1296/4885CA1 131/4885

“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.