SCHEMBL458099

SCHEMBL458099

CCOC(=O)c1ccc([N+](=O)[O-])c(OCc2c(C)cccc2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 3/20 0.50
MAPT P10636 5/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
PKM P14618 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.47
MAPK1 P28482 2/20 0.47
PTGER4 P35408 1/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AKR1C3 P42330 1/20 0.44

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
SCHEMBL31215378 0.87 TSHR (0.56) POLBKMT2AMAPTMEN1AKR1C3
SCHEMBL460131 0.87 TSHR (0.56) POLBKMT2AMAPTMEN1AKR1C3
SCHEMBL16056351 0.85 KMT2A (0.59) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL458612 0.84 SLC22A12 (0.58) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL28158589 0.81 AKR1C3 (0.57) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL16056241 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL459946 0.81 HSD17B2 (0.47) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL460237 0.81 HSD17B2 (0.57) ALDH1A1KDM4EKMT2AMAPTRAB9A
SCHEMBL5925578 0.80 HSD17B2 (0.62) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL3559893 0.78 TSHR (0.64) ALDH1A1KDM4EPOLBKMT2AMAPT

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-10085957-B2 Benzoic acid compounds for reducing uric acid WELLSTAT THERAPEUTICS CORPORATION (US) 2018-10-02 US disclosed
US-20170042844-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID PHARMA CINQ, LLC 2017-02-16 US disclosed
US-20130331452-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID WELLSTAT THERAPEUTICS CORPORATION (US) 2013-12-12 US disclosed
WO-2012033720-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID WELLSTAT THERAPEUTICS CORPORATION (US) 2012-03-15 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 (3 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-10085957-B2 Benzoic acid compounds for reducing uric acid FPR1, FFAR1, GLS ALDH1A1 3749/4885KDM4E 1298/4885POLB 3137/4885
US-20130331452-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID GLS, NLRP3, XDH ALDH1A1 2683/4885KDM4E 1362/4885POLB 3467/4885
US-20170042844-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID FPR1, FFAR1, GLS ALDH1A1 3749/4885KDM4E 1298/4885POLB 3137/4885

“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.