SCHEMBL458612

SCHEMBL458612

CCOC(=O)c1ccc(C)c(OCc2c(C)cccc2C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.58
HSD17B2 P37059 1/20 0.50
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 3/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 2/20 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
SCHEMBL459946 0.88 HSD17B2 (0.47) SLC22A12HSD17B2CA12CA1CA2
SCHEMBL460237 0.88 HSD17B2 (0.57) SLC22A12HSD17B2KDM4EALDH1A1MAPT
SCHEMBL31215377 0.84 SLC22A12 (0.66) SLC22A12HTTRAB9ANPC1MEN1
SCHEMBL459394 0.84 SLC22A12 (0.66) SLC22A12HTTRAB9ANPC1MEN1
SCHEMBL12493951 0.84 SLC22A12 (0.62) SLC22A12MAPTRAB9APOLBL3MBTL1
SCHEMBL458099 0.84 ALDH1A1 (0.51) SLC22A12HSD17B2KDM4EALDH1A1MAPT
SCHEMBL30469408 0.84 HSD17B2 (0.59) HSD17B2CA12CA1CA2CA7
SCHEMBL670450 0.84 HSD17B2 (0.59) HSD17B2CA12CA1CA2CA7
SCHEMBL1634331 0.82 TDP1 (0.52) ALDH1A1MAPTRAB9APOLBPKM
SCHEMBL12494461 0.82 SLC22A12 (0.63) SLC22A12MAPTRAB9AL3MBTL1SMN1; SMN2

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 SLC22A12 740/4885HSD17B2 2561/4885CA12 3091/4885
US-20130331452-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID GLS, NLRP3, XDH SLC22A12 809/4885HSD17B2 2954/4885CA12 3875/4885
US-20170042844-A1 BENZOIC ACID COMPOUNDS FOR REDUCING URIC ACID FPR1, FFAR1, GLS SLC22A12 740/4885HSD17B2 2561/4885CA12 3091/4885

“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.