SCHEMBL22806627

SCHEMBL22806627

Nc1cc(I)c(O)cc1-c1cc(=O)c2ccccc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.62
▸ AKR1C2 P52895 1/20 0.62
▸ AKR1C1 Q04828 1/20 0.62
▸ HPGD P15428 8/20 0.59
▸ CYP3A4 P08684 6/20 0.59
▸ KDM4E B2RXH2 5/20 0.59
▸ MEN1 O00255 5/20 0.59
▸ KMT2A Q03164 5/20 0.59
▸ CYP2C9 P11712 4/20 0.59
▸ CYP2C19 P33261 4/20 0.59
▸ ALOX15 P16050 4/20 0.58
▸ MAPT P10636 4/20 0.58
▸ TP53 P04637 4/20 0.58
▸ CYP2D6 P10635 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ FTO Q9C0B1 2/20 0.53
▸ SMN1; SMN2 Q16637 7/20 0.52

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
SCHEMBL22806434 0.80 ALDH1A1 (0.65) AKR1C3AKR1C2AKR1C1HPGDCYP3A4
SCHEMBL22806648 0.80 HPGD (0.72) AKR1C3AKR1C2AKR1C1HPGDCYP3A4
SCHEMBL311714 0.80 HPGD (0.76) AKR1C3AKR1C2AKR1C1HPGDCYP3A4
SCHEMBL1423180 0.77 HPGD (0.67) AKR1C3AKR1C2AKR1C1HPGDCYP3A4
SCHEMBL312255 0.77 AKR1C3 (1.00) AKR1C3AKR1C2AKR1C1HPGDCYP3A4
SCHEMBL2436664 0.77 HPGD (0.67) AKR1C3AKR1C2AKR1C1HPGDCYP3A4
SCHEMBL30933461 0.76 HPGD (0.75) AKR1C3AKR1C2AKR1C1HPGDCYP3A4
SCHEMBL8934509 0.75 HPGD (0.64) AKR1C3AKR1C2AKR1C1HPGDCYP3A4
SCHEMBL9080220 0.75 AKR1C3 (0.72) AKR1C3AKR1C2AKR1C1HPGDCYP3A4
SCHEMBL4650047 0.75 HPGD (1.00) AKR1C3AKR1C2AKR1C1HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356162-A1 Heterocyclic Compounds as Lipoxygenase Inhibitors DR. REDDY'S INSTITUTE OF LIFE SCIENCES (IN) 2022-11-10 — — US disclosed
WO-2020255156-A1 HETEROCYCLIC COMPOUNDS AS LIPOXYGENASE INHIBITORS DR REDDY'S INSTITUTE OF LIFE SCIENCES (IN) 2020-12-24 — — WO disclosed
WO-2020255156-A1 HETEROCYCLIC COMPOUNDS AS LIPOXYGENASE INHIBITORS DR REDDY'S INSTITUTE OF LIFE SCIENCES (IN) 2020-12-24 — — 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-20220356162-A1 Heterocyclic Compounds as Lipoxygenase Inhibitors LTC4S, ALOX12, ALOX15B AKR1C3 73/4885AKR1C2 152/4885AKR1C1 119/4885

“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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