SCHEMBL6922195

SCHEMBL6922195

C=CCC(=O)Cc1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.57
▸ HSPA5 P11021 1/20 0.43
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ IDO1 P14902 2/20 0.37
▸ CA12 O43570 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 1/20 0.36
▸ MPO P05164 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ ACHE P22303 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
SCHEMBL2240152 0.83 AKR1B1 (0.59) AKR1B1HSPA5CYP2D6TSHRHIF1A
SCHEMBL30451705 0.82 AKR1B1 (0.74) AKR1B1HSPA5CYP2D6TSHRHIF1A
SCHEMBL1737314 0.82 AKR1B1 (0.74) AKR1B1HSPA5CYP2D6TSHRHIF1A
SCHEMBL28482190 0.80 CTBP2 (0.47) IDO1
SCHEMBL8518720 0.79 AKR1B1 (0.48) AKR1B1HSPA5CYP2D6TSHRHIF1A
2-Allylphenol SCHEMBL9280929 0.79 AKR1B1 (0.53) AKR1B1HSPA5
SCHEMBL668441 0.77 AKR1B1 (0.61) AKR1B1HSPA5CYP2D6TSHRHIF1A
SCHEMBL4006576 0.76 AKR1B1 (0.65) AKR1B1HSPA5CYP2D6TSHRHIF1A
2-Allylphenol SCHEMBL6262349 0.76 GABRA1 (0.48) AKR1B1HSPA5CYP2D6TSHRHIF1A
SCHEMBL9033186 0.75 AKR1B1 (0.44) AKR1B1HSPA5CYP2D6TSHRHIF1A

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-6673969-B2 REACTING MIXTURE OF ALKYL-SALICYL-ALDEHYDES OR ALKYL-SALICYL-KETONES WITH HYDROXYLAMINE SULFATE OR HYDROXYLAMINE HYDROCHLORIDE; FOR EXTRACTING GALLIUM FROM WASTE EFFLUENTS FROM ORE PROCESSING, SUCH AS BAYER LIQUOR COMSELHO NACIONAL DE DESENVOLVIMENTO CIENTIFICO E TECNOLOGICO CNPQ (BR) 2004-01-06 — — US claimed
US-20020123650-A1 Process for preparation of oximes and resulting products CETEM - CENTRO DE TECNOLOGIA MINERAL (BR) 2002-09-05 — — US claimed

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-20020123650-A1 Process for preparation of oximes and resulting products ACHE, LPO, GALE AKR1B1 1891/4885HSPA5 3591/4885CYP2D6 118/4885

“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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