SCHEMBL641171

SCHEMBL641171

ICCC=COCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.43
AGXT P21549 3/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOB P27338 1/20 0.37
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
PTGS1 P23219 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL1257815 0.84 IDO1 (0.46) IDO1AGXTALDH1A1TSHRHPGD
SCHEMBL29447243 0.81 IDO1 (0.43) IDO1AGXTALDH1A1TSHRMAOB
SCHEMBL6506525 0.81 IDO1 (0.43) IDO1AGXTALDH1A1TSHRMAOB
SCHEMBL1068376 0.78 IDO1 (0.41) IDO1AGXTALDH1A1TSHRLMNA
SCHEMBL1068374 0.78 IDO1 (0.41) IDO1AGXTALDH1A1TSHRLMNA
SCHEMBL17269304 0.78 MAOB (0.58) IDO1AGXTALDH1A1TSHRMAOB
SCHEMBL738243 0.76 IDO1 (0.46) IDO1AGXTALDH1A1TSHRMAOB
SCHEMBL7566541 0.76 IDO1 (0.52) IDO1AGXTALDH1A1TSHRMAOB
SCHEMBL7717207 0.76 IDO1 (0.46) IDO1AGXTALDH1A1TSHRMAOB
SCHEMBL7717208 0.76 IDO1 (0.46) IDO1AGXTALDH1A1TSHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119692-B2 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA LLC (US) 2012-02-21 US disclosed
US-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning PANTHERA BIOPHARMA, LLC 2010-11-11 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-20100286125-A1 Hydroxamic acid derivatives of 4-phenyl 4-hydroxy, 4-phenyl 4-alkoxy and 4-phenyl 4-arylalkoxy butyric acid useful as therapeutic agents for treating anthrax poisoning ANTXR2, ABAT, BAX IDO1 845/4885AGXT 15/4885ALDH1A1 559/4885

“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.