SCHEMBL10073833

SCHEMBL10073833

OCCCC1CCC(C2CCC(CCCO)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL1543625 0.91 CYP1A2 (0.38) ESR2CYP1A2LMNAMAPK1HTT
SCHEMBL79852 0.91
SCHEMBL3477058 0.89 CYP1A2 (0.41) CYP1A2LMNAMAPK1HTT
SCHEMBL7735789 0.89 CYP1A2 (0.41) CYP1A2LMNAMAPK1HTT
SCHEMBL4569192 0.89 ALOX5 (0.33)
SCHEMBL7735799 0.89 CYP1A2 (0.41) CYP1A2LMNAMAPK1HTT
SCHEMBL19722206 0.87 CYP1A2 (0.45) CYP1A2LMNAMAPK1HTT
SCHEMBL18421585 0.86 ESR2 (0.43) ESR2CYP1A2LMNAMAPK1HTT
SCHEMBL18421980 0.86 SIGMAR1 (0.37) ESR2CYP1A2LMNAMAPK1HTT
SCHEMBL1111263 0.83 ESR2 (0.35) ESR2CYP1A2LMNAMAPK1HTT

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 6 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
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
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 ESR2 1455/4885CYP1A2 1089/4885LMNA 461/4885

“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.