SCHEMBL12260686

SCHEMBL12260686

Cc1ccc(C(C)(C)C(=O)c2ccco2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
NPC1 O15118 7/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
KDM4E B2RXH2 3/20 0.54
KMT2A Q03164 4/20 0.46
LMNA P02545 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL4620036 0.76 CES2 (0.58) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL15120379 0.74 CES2 (0.56) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL12260658 0.72 NPC1 (0.53) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL12260644 0.72 CES1 (0.53) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL10682751 0.72 ALDH1A1 (0.66) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL20169790 0.70 RIPK1 (0.50) RAB9ANPC1SMN1; SMN2KMT2ACES2
SCHEMBL27583187 0.70 CES2 (0.55) RAB9ANPC1SMN1; SMN2KMT2ACES2
SCHEMBL27568385 0.70 CES2 (0.50) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL11258270 0.69 TSHR (0.52) RAB9ANPC1SMN1; SMN2KMT2ALMNA
SCHEMBL14130698 0.69 KMT2A (0.72) RAB9ANPC1SMN1; SMN2KDM4EKMT2A

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-8022255-B2 Process for preparing ketones from alpha-oxo carboxylates and aryl bromides SALTIGO GMBH (DE) 2011-09-20 US disclosed
US-20090221832-A1 PROCESS FOR PREPARING KETONES FROM ALPHA-OXO CARBOXYLATES AND ARYL BROMIDES SALTIGO GMBH (DE) 2009-09-03 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-20090221832-A1 PROCESS FOR PREPARING KETONES FROM ALPHA-OXO CARBOXYLATES AND ARYL BROMIDES CBR1, CBR3, AKR1C3 RAB9A 2512/4885NPC1 2979/4885SMN1; SMN2 3261/4885

“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.