SCHEMBL3477367

SCHEMBL3477367

CCCC1CCC(C(=O)OCCCCBr)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.35
NAAA Q02083 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.34
LMNA P02545 2/20 0.34
PPM1B O75688 1/20 0.34
PTPN1 P18031 1/20 0.34
PPP1CC P36873 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
FKBP1A P62942 1/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FAAH O00519 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3477539 0.91 GAA (0.37) MAPTGAACYP2C9POLBHPGD
SCHEMBL10479724 0.88 NAAA (0.44) MAPTGAACYP2C9NAAAPOLB
SCHEMBL10479725 0.88 NAAA (0.44) MAPTGAACYP2C9NAAAPOLB
SCHEMBL10073834 0.87 GAA (0.43) MAPTGAACYP2C9NAAAPOLB
SCHEMBL3477855 0.86 MEN1 (0.42) MAPTGAACYP2C9NAAAPOLB
SCHEMBL14926581 0.86 ALDH1A1 (0.47) MAPTGAANAAAPOLBHPGD
SCHEMBL10480056 0.86 NAAA (0.47) MAPTGAANAAAEPHX2PKM
SCHEMBL21475280 0.86 NAAA (0.51) MAPTGAANAAAPOLBHPGD
SCHEMBL14926573 0.86 MAPT (0.39) MAPTGAANAAAPOLBHPGD
SCHEMBL20032684 0.86 ACHE (0.40) MAPTGAANAAAPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372307-B2 Cyclohexylene reactive mesogens and their applications MERCK PATENT GMBH (DE) 2013-02-12 US disclosed
US-8372307-B2 Cyclohexylene reactive mesogens and their applications MERCK PATENT GMBH (DE) 2013-02-12 US disclosed
US-8372307-B2 Cyclohexylene reactive mesogens and their applications MERCK PATENT GMBH (DE) 2013-02-12 US disclosed
EP-2087067-B1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS MERCK PATENT GMBH (DE) 2012-06-27 EP disclosed
US-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
US-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications MERCK PATENT GMBH (DE) 2010-04-29 US disclosed
EP-2087067-A1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS Merck Patent GmbH (DE) 2009-08-12 EP disclosed
WO-2008061606-A1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS MERCK PATENT GMBH (DE) 2008-05-29 WO disclosed
WO-2008061606-A1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS MERCK PATENT GMBH (DE) 2008-05-29 WO 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-20100103366-A1 Cyclohexylene Reactive Mesogens and Their Applications CUTA, MC1R, CTSG MAPT 745/4885GAA 3465/4885CYP2C9 1953/4885

“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.