SCHEMBL2952098

SCHEMBL2952098

COc1cc(C2CO2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
SIRT6 Q8N6T7 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 3/20 0.46

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
SCHEMBL12609544 0.80 MAPT (0.51) ALDH1A1MAPTL3MBTL1KDM4ECYP3A4
SCHEMBL12609542 0.80 MAPT (0.51) ALDH1A1MAPTL3MBTL1KDM4ECYP3A4
SCHEMBL3315679 0.79 ALDH1A1 (0.48) LMNAALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL20490713 0.77 QDPR (0.60) LMNAALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL901629 0.77 ACHE (0.57) ALDH1A1ALOX5PTPN1PPARGPPARD
SCHEMBL867235 0.76 ALDH1A1 (0.50) LMNAALDH1A1TDP1MAPTCYP3A4
SCHEMBL16503717 0.76 TUBB4A (0.43) LMNAALDH1A1TUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL20610137 0.75 ALDH1A1 (0.41) LMNAALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL20490721 0.74 MAPT (0.51) LMNAALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL29267648 0.73 ALDH1A1 (0.45) LMNAALDH1A1TUBB4ATUBBTUBA3C

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 LMNA 2130/4885ALDH1A1 238/4885TUBB4A 202/4885

“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.