SCHEMBL4301550

SCHEMBL4301550

COC(=O)c1cc(C(=O)OC)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
VCAM1 P19320 1/20 0.51
ERN1 O75460 2/20 0.51
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
ESR1 P03372 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
NFKB1 P19838 1/20 0.49
XDH P47989 1/20 0.49
GFER P55789 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
FUT7 Q11130 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TPMT P51580 1/20 0.48

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
SCHEMBL29189968 0.91 MEN1 (0.50) MEN1KMT2ARXFP1VCAM1ERN1
SCHEMBL5924211 0.90 ESR1 (0.57) MEN1KMT2ARXFP1VCAM1ERN1
Hydrochloric Acid SCHEMBL9064842 0.88 ESR1 (0.56) MEN1KMT2ARXFP1VCAM1ERN1
SCHEMBL7028476 0.85 ERN1 (0.56) MEN1KMT2ARXFP1VCAM1ERN1
SCHEMBL31440703 0.85 KDM4E (0.65) MEN1KMT2ARXFP1VCAM1ERN1
SCHEMBL643856 0.85 KDM4E (0.65) MEN1KMT2ARXFP1VCAM1ERN1
SCHEMBL591200 0.84 GPR35 (0.56) MEN1KMT2AERN1KDM4EMAPT
SCHEMBL11067071 0.84 GPR35 (0.62) MEN1KMT2AVCAM1ERN1MAPT
SCHEMBL30098373 0.84 GPR35 (0.56) MEN1KMT2AERN1KDM4EMAPT
SCHEMBL5332962 0.84 GPR35 (0.56) MEN1KMT2ARXFP1VCAM1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582719-B1 Carboxylic-acid-terminated hyperbranched poly(benzoxazole) and the star block copolymers therefrom THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2009-09-01 US disclosed
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
EP-2045242-A1 Heterocyclic compounds having inhibitory activity against HIV integrase Shionogi&Co., Ltd. (JP) 2009-04-08 EP disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 MEN1 3893/4885KMT2A 2139/4885RXFP1 2699/4885

“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.