SCHEMBL5444047

SCHEMBL5444047

CC(C)(C)c1cc(CO)n[nH]1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STK25 O00506 2/20 0.35
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ GPR39 O43194 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ CNR2 P34972 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ IKBKB O14920 1/20 0.30
▸ CHUK O15111 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 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
SCHEMBL24915517 0.86 KDM5A (0.34) —
SCHEMBL18695578 0.84 HPGD (0.31) HPGD
SCHEMBL12298687 0.81 STK25 (0.35) STK25NPC1RAB9ASMN1; SMN2HCAR2
SCHEMBL244682 0.79 STK25 (0.32) STK25NPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL1829756 0.79 ALOX15 (0.42) SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL5444548 0.78 MAPK14 (0.32) STK25NPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL1205806 0.76 ATM (0.34) STK25ATML3MBTL1TSHR
SCHEMBL1206052 0.75 STK25 (0.43) STK25NPC1RAB9ASMN1; SMN2HCAR2
SCHEMBL5451411 0.75 LMNA (0.37) STK25ATMGAAHPGD
SCHEMBL4264903 0.73 — —

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-20070191395-A1 Heterocyclic compounds having antifungal activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 — — US disclosed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 — — 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-20070191395-A1 Heterocyclic compounds having antifungal activity ERG28, MANBA, MAN2B1 STK25 1656/4885NPC1 418/4885RAB9A 2636/4885

“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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