SCHEMBL7542049

SCHEMBL7542049

CON=C(c1cc(C)on1)c1ccccc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.42
▸ NPC1 O15118 6/20 0.42
▸ PKM P14618 2/20 0.42
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ GAA P10253 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CASP1 P29466 1/20 0.34

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
SCHEMBL7535577 0.82 RAB9A (0.39) RAB9ANPC1PKMCYP1A2CYP2C19
SCHEMBL7542538 0.81 KMT2A (0.41) RAB9ANPC1PKMALDH1A1SMN1; SMN2
SCHEMBL7538500 0.81 RAB9A (0.40) RAB9ANPC1PKMCYP1A2CYP2C19
SCHEMBL8444479 0.80 NPC1 (0.30) RAB9ANPC1GAALMNAHPGD
SCHEMBL8444480 0.80 NPC1 (0.30) RAB9ANPC1GAALMNAHPGD
SCHEMBL8745061 0.78 MAPT (0.42) RAB9ANPC1PKMCYP1A2CYP2C19
SCHEMBL7536125 0.74 HTT (0.39) RAB9ANPC1PKMALDH1A1GAA
SCHEMBL27546787 0.71 CYP1A2 (0.43) RAB9ANPC1CYP1A2CYP2C19CYP2D6
SCHEMBL7537180 0.69 KMT2A (0.41) RAB9ANPC1PKMALDH1A1SMN1; SMN2
SCHEMBL8447687 0.68 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362212-B1 POTENT FUNGICIDAL ACTIVITY SHIONOGI & COMPANY, LTD. (JP) 2002-03-26 — — US disclosed
US-20020032227-A1 Oxime derivative and bactericide containing the same as active ingredient TAKASE AKIRA (JP) 2002-03-14 — — US disclosed
US-6268312-B1 FUNGICIDES SHIONOGI & CO., LTD. (JP) 2001-07-31 — — US disclosed
US-6048885-A FUNGICIDES SHIONOGI & CO., LTD. (JP) 2000-04-11 — — US disclosed
EP-0754684-A1 OXIME DERIVATIVE AND BACTERICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SHIONOGI & CO., LTD. (JP) 1997-01-22 — — EP 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-20020032227-A1 Oxime derivative and bactericide containing the same as active ingredient MSMO1, O60361, CBR1 RAB9A 3734/4885NPC1 3604/4885PKM 3661/4885

“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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