SCHEMBL19832685

SCHEMBL19832685

O=C=NCc1ccc(CCCI)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 7/20 0.33
▸ TRPA1 O75762 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP3A4 P08684 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NAAA Q02083 3/20 0.30

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
SCHEMBL21089 0.81 MIF (0.44) MIFTRPA1ALDH1A1HPGDCYP3A4
SCHEMBL5500494 0.81 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL2983108 0.79 NAAA (0.47) MIFTRPA1ALDH1A1HSD17B10CYP3A4
SCHEMBL13479749 0.79 ALDH1A1 (0.49) ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL22471901 0.79 MIF (0.43) MIFTRPA1ALDH1A1HPGDCYP3A4
Water SCHEMBL29040332 0.79 MIF (0.43) MIFTRPA1ALDH1A1HPGDCYP3A4
Water SCHEMBL14972874 0.79 MIF (0.43) MIFTRPA1ALDH1A1HPGDCYP3A4
SCHEMBL18567327 0.78 MIF (0.42) MIFTRPA1ALDH1A1HPGDCYP3A4
SCHEMBL14328197 0.76 MIF (0.35) MIFTRPA1ALDH1A1HPGDCYP3A4
SCHEMBL28911026 0.76 MIF (0.39) MIFTRPA1ALDH1A1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028536-A1 INHIBITORY EFFECT OF LOW MOLECULAR WEIGHT COMPOUND ON CANCER AND FIBROSIS KANONCURE, INC. (JP) 2018-02-01 — — 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-20180028536-A1 INHIBITORY EFFECT OF LOW MOLECULAR WEIGHT COMPOUND ON CANCER AND FIBROSIS MMP1, SERPINB1, LGALS1 MIF 17/4885TRPA1 2948/4885ALDH1A1 130/4885

“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.

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