SCHEMBL19947459

SCHEMBL19947459

COc1cc(-c2cc[c]c(OC(C)=O)c2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.46
TUBB P07437 3/20 0.46
TUBA3C P0DPH7 3/20 0.46
TUBA1B P68363 3/20 0.46
TUBA4A P68366 3/20 0.46
TUBB4B P68371 3/20 0.46
TUBB3 Q13509 3/20 0.46
TUBB2A Q13885 3/20 0.46
TUBB8 Q3ZCM7 3/20 0.46
TUBA3E Q6PEY2 3/20 0.46
TUBA1A Q71U36 3/20 0.46
TUBA1C Q9BQE3 3/20 0.46
TUBB6 Q9BUF5 3/20 0.46
TUBB2B Q9BVA1 3/20 0.46
TUBB1 Q9H4B7 3/20 0.46
ERN1 O75460 1/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
CA12 O43570 1/20 0.40

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
SCHEMBL2077524 0.74 BACE1 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10838121 0.71 MAPT (0.49) GAAHTTALDH1A1KDM4ECYP3A4
SCHEMBL2079650 0.71 LMNA (0.47) GAAHTTALDH1A1KDM4ECYP3A4
SCHEMBL1451590 0.71 LMNA (0.47) GAACA12CA2CA9KDM4E
SCHEMBL9671753 0.70 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3537888 0.70 CA9 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL736176 0.70 TUBB4A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7766255 0.69 CYP19A1 (0.39) GAAHTTCA2ALDH1A1KDM4E
SCHEMBL4858324 0.69 CYP3A4 (0.33) ALDH1A1CYP3A4CYP2C9HSD17B10TSHR
SCHEMBL721861 0.69 ACHE (0.65) ERN1GAACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072675-A1 ANTIMICROBIAL PYRIDINOHYDRAZIDE AND HYDRAZOMETHYLPYRIDINE-BASED AGENTS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2018-03-15 US claimed

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-20180072675-A1 ANTIMICROBIAL PYRIDINOHYDRAZIDE AND HYDRAZOMETHYLPYRIDINE-BASED AGENTS CLPP, HPD, PDXK TUBB4A 1207/4885TUBB 617/4885TUBA3C 1086/4885

“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.