SCHEMBL7550971

SCHEMBL7550971

CCOc1c(Br)ccc(C(=O)O)c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
TSHR P16473 2/20 0.51
THRB P10828 1/20 0.46
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
ABL1 P00519 1/20 0.38
GAA P10253 1/20 0.38
RIN1 Q13671 1/20 0.38
CYP1A2 P05177 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36

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
Dioxane SCHEMBL8130861 0.91 HSD17B10 (0.44) HSD17B10TSHRTHRBMAPTMEN1
SCHEMBL8130870 0.89 HSD17B10 (0.42) HSD17B10TSHRTHRBMAPTMEN1
SCHEMBL8130859 0.87 TSHR (0.41) HSD17B10TSHRTHRBMAPTMEN1
SCHEMBL26661000 0.85 HSD17B10 (0.46) HSD17B10TSHRTHRBMAPTMEN1
SCHEMBL8529751 0.85 HSD17B10 (0.50) HSD17B10TSHRTHRBMAPTMEN1
SCHEMBL6151662 0.84 HSD17B10 (0.40) HSD17B10TSHRTHRBKDM4EALDH1A1
SCHEMBL7559624 0.83 MAPT (0.51) HSD17B10TSHRTHRBMAPTMEN1
SCHEMBL31535254 0.83 HSD17B10 (0.49) HSD17B10TSHRTHRBMAPTMEN1
SCHEMBL25853113 0.83 HSD17B10 (0.49) HSD17B10TSHRTHRBMAPTMEN1
SCHEMBL21828848 0.82 MAPT (0.53) HSD17B10TSHRMAPTKMT2ASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734380-B1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES AVENTIS AGRICULTURE LTD (GB) 2002-07-10 EP disclosed
US-20020042431-A1 Zwitterionic tachykinin receptor antagonists MERCK & CO., INC. 2002-04-11 US disclosed
US-6369270-B1 CHEMICAL INTERMEDIATES RHONE POULENC AGRICULTURE LIMITED (GB) 2002-04-09 US disclosed
US-6114538-A 2-POSITION OF BENZOY RING OF 4-BENZOYLISOXAZOLE DERIVATIVE IS SUBSTITUTED AND PARTICULARLY USED AGAINST MONOCOTYLEDONOUS WEEDS BY POST-EMEREGENECE APPLICATION RHONE POULENC AGRICULTURE LIMITED (GB) 2000-09-05 US disclosed
US-5998653-A CHEMICAL INTERMEDIATE FOR HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1999-12-07 US disclosed
US-5658858-A POSTEMERGENCE HERBICIDES RHONE-POULENC ARGRICULTURE LIMITED (GB) 1997-08-19 US disclosed
EP-0734380-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1996-10-02 EP disclosed
WO-1995016678-A1 4-BENZOYLISOXAZOLES AND THEIR USE AS HERBICIDES RHONE POULENC AGRICULTURE LIMITED (GB) 1995-06-22 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-20020042431-A1 Zwitterionic tachykinin receptor antagonists NPY5R, NPY1R, NPY2R HSD17B10 3843/4885TSHR 241/4885THRB 524/4885

“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.