SCHEMBL3478095

SCHEMBL3478095

C=CC1CCC(C2CCC(CCC(=O)OCC)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.36
CASP1 P29466 1/20 0.36
EPHX2 P34913 1/20 0.35
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
TSHR P16473 1/20 0.33
KLK7 P49862 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 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
SCHEMBL10073831 0.87 ALDH1A1 (0.46) ALDH1A1TDP1USP2ALOX15L3MBTL1
SCHEMBL3477288 0.87 ALDH1A1 (0.40) ALDH1A1TDP1USP2ALOX15L3MBTL1
SCHEMBL7746087 0.85 ALDH1A1 (0.40) ALDH1A1TDP1CASP1EPHX2MEN1
SCHEMBL7746092 0.85 ALDH1A1 (0.40) ALDH1A1TDP1CASP1EPHX2MEN1
SCHEMBL7746090 0.85 ALDH1A1 (0.40) ALDH1A1TDP1CASP1EPHX2MEN1
SCHEMBL8359776 0.85 ALDH1A1 (0.40) ALDH1A1TDP1CASP1EPHX2MEN1
SCHEMBL3476775 0.83 ALDH1A1 (0.43) ALDH1A1TDP1USP2ALOX15L3MBTL1
SCHEMBL18623243 0.82 ALDH1A1 (0.50) ALDH1A1TDP1USP2ALOX15L3MBTL1
SCHEMBL14864455 0.80 EPHX2 (0.43) ALDH1A1TDP1USP2ALOX15L3MBTL1
SCHEMBL19853866 0.79 ALDH1A1 (0.47) ALDH1A1TDP1USP2ALOX15L3MBTL1

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 11 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
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 ALDH1A1 3411/4885TDP1 3193/4885USP2 2400/4885

“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.