SCHEMBL7535903

SCHEMBL7535903

Cc1ccc(C)c(OCc2ccccc2C(=O)c2ccnn2C)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL7536289 0.82 MAPT (0.39) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL7540548 0.77 MRGPRX4 (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2PTGDR2
SCHEMBL7536315 0.77 RAB9A (0.43) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL7537223 0.77 RAB9A (0.43) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL7537186 0.76 PTGDR2 (0.50) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL28816972 0.75 HTT (0.53) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL28832475 0.74 ALDH1A1 (0.46) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL28001736 0.74 ALDH1A1 (0.50) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3498068 0.73 SMN1; SMN2 (0.50) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL27814043 0.72 SMN1; SMN2 (0.51) MAPTRAB9ANPC1KMT2AALDH1A1

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 MAPT 4733/4885RAB9A 3734/4885NPC1 3604/4885

“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.

Send feedback