SCHEMBL12690265

SCHEMBL12690265

COC(=O)C(C)(C)n1ccc(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.39
MAPT P10636 5/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 4/20 0.36
MAPK1 P28482 2/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC1 Q13547 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
SRC P12931 1/20 0.33
RAB9A P51151 4/20 0.32
NPC1 O15118 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SLC6A2 P23975 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32

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
SCHEMBL22290652 0.73 DGAT1 (0.38) KCNN4ALDH1A1LMNAALOX15SRC
SCHEMBL22951294 0.69 CA12 (0.40) MAPTALDH1A1LMNAMAPK1ALOX15
SCHEMBL26817242 0.69 TSHR (0.32) ALDH1A1LMNA
SCHEMBL5877921 0.67 MAPT (0.50) KCNN4MAPTALDH1A1LMNAMAPK1
SCHEMBL12690669 0.67 HCRTR1 (0.37) KCNN4MAPTALDH1A1LMNAMAPK1
SCHEMBL12690216 0.66 CA12 (0.37) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL22952835 0.66 SMN1; SMN2 (0.33) MAPTALDH1A1LMNAMAPK1ALOX15
SCHEMBL22952397 0.65 TSHR (0.32) LMNA
SCHEMBL12690559 0.64 SMN1; SMN2 (0.35) MAPTLMNAHDAC1SMN1; SMN2RAB9A
SCHEMBL9475464 0.64 MAPT (0.47) KCNN4MAPTALDH1A1LMNAMAPK1

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-8580825-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-27 US 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-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 KCNN4 2544/4885MAPT 4705/4885ALDH1A1 641/4885

“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.