SCHEMBL12528519

SCHEMBL12528519

Cc1cc(-c2ccco2)nn1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 10/20 0.49
PTGS2 P35354 1/20 0.48
PDE10A Q9Y233 1/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGS1 P23219 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RECQL P46063 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL26849135 0.86 KDM4E (0.50) P2RY6PTGS2PDE10AALDH1A1KDM4E
SCHEMBL950699 0.80 ALDH1A1 (0.55) P2RY6ALDH1A1KDM4EHPGDTSHR
SCHEMBL12090641 0.78 PTGS2 (0.51) PTGS2PDE10AALDH1A1KDM4EHPGD
SCHEMBL26847540 0.74 ALDH1A1 (0.49) PTGS2PDE10AALDH1A1KDM4EHPGD
SCHEMBL5287237 0.73 NPC1 (0.48) P2RY6PTGS2ALDH1A1KDM4EHPGD
SCHEMBL3393181 0.72 KDM4E (0.53) PTGS2PDE10AALDH1A1KDM4EHPGD
SCHEMBL26847519 0.72 PTGS2 (0.46) PTGS2PDE10AALDH1A1KDM4EHPGD
SCHEMBL13425981 0.72 PTGS2 (0.46) PTGS2ALDH1A1KDM4EHPGDTSHR
SCHEMBL22952437 0.71 ALDH1A1 (0.46) PTGS2PDE10AALDH1A1KDM4EHPGD
SCHEMBL7914483 0.71 ALDH1A1 (0.52) PTGS2PDE10AALDH1A1KDM4EHPGD

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-7968573-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME IKEGAMI HIROSHI 2011-03-24 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-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, H1-2, H1-0 P2RY6 1363/4885PTGS2 801/4885PDE10A 844/4885

“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.