SCHEMBL460131

SCHEMBL460131

Cc1cccc(C)c1COc1cc(C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
MYC P01106 4/20 0.52
MAX P61244 3/20 0.52
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
CASP6 P55212 1/20 0.49
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
SLC22A12 Q96S37 1/20 0.47
EP300 Q09472 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
HTT P42858 1/20 0.45

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 1.00 TSHR (0.56) TSHRMYCMAXMEN1POLB
SCHEMBL458099 0.87 ALDH1A1 (0.51) MEN1POLBKMT2AAKR1C3AKR1C2
SCHEMBL31215377 0.83 SLC22A12 (0.66) MEN1KMT2ASLC22A12RXRARXRB
SCHEMBL459394 0.83 SLC22A12 (0.66) MEN1KMT2ASLC22A12RXRARXRB
SCHEMBL528177 0.82 MYC (0.67) TSHRMYCMAXMEN1POLB
SCHEMBL30082870 0.82 MYC (0.67) TSHRMYCMAXMEN1POLB
SCHEMBL3537490 0.80 MAPT (0.62) TSHRMYCMAXPOLBCASP6
SCHEMBL459191 0.79 MRGPRX4 (0.55) SLC22A12RXRARXRBRXRG
SCHEMBL458511 0.79 SLC22A12 (0.51) SLC22A12RXRARXRBRXRGHTT
SCHEMBL31215352 0.79 CA12 (0.59) TSHRSLC22A12RXRARXRBRXRG

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 10 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 claimed
US-20170042844-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID PHARMA CINQ, LLC 2017-02-16 US claimed
US-20130331452-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID WELLSTAT THERAPEUTICS CORPORATION (US) 2013-12-12 US claimed
WO-2012033720-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID WELLSTAT THERAPEUTICS CORPORATION (US) 2012-03-15 WO claimed
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-20170042844-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID PHARMA CINQ, LLC 2017-02-16 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 TSHR 1239/4885MYC 3784/4885MAX 1757/4885
US-20130331452-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID GLS, NLRP3, XDH TSHR 1920/4885MYC 4316/4885MAX 2230/4885
US-20170042844-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID FPR1, FFAR1, GLS TSHR 1239/4885MYC 3784/4885MAX 1757/4885

“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.