SCHEMBL3480757

SCHEMBL3480757

CCCC1CCC(C2CCC(O)(c3ccc(Br)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.41
OPRL1 P41146 4/20 0.41
OPRK1 P41145 4/20 0.41
OPRD1 P41143 2/20 0.37
CCR1 P32246 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP2C9 P11712 1/20 0.35
TLR4 O00206 2/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD4 P21917 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
SCHEMBL10893278 0.94 OPRL1 (0.44) OPRM1OPRL1OPRK1OPRD1ALDH1A1
SCHEMBL2892148 0.91 OPRM1 (0.41) OPRM1OPRL1OPRK1OPRD1CCR1
SCHEMBL11893261 0.87 OPRM1 (0.40) OPRM1OPRL1OPRK1OPRD1ALDH1A1
SCHEMBL10606317 0.87 OPRM1 (0.43) OPRM1OPRL1OPRK1OPRD1CCR1
SCHEMBL10606314 0.87 OPRM1 (0.43) OPRM1OPRL1OPRK1OPRD1CCR1
SCHEMBL7215216 0.87 OPRL1 (0.47) OPRM1OPRL1OPRK1OPRD1
SCHEMBL10910104 0.87 OPRL1 (0.47) OPRM1OPRL1OPRK1OPRD1
SCHEMBL10910108 0.87 OPRL1 (0.47) OPRM1OPRL1OPRK1OPRD1
SCHEMBL11046287 0.85 OPRL1 (0.41) OPRM1OPRL1OPRK1OPRD1DRD2
SCHEMBL10804940 0.85 OPRM1 (0.41) OPRM1OPRL1OPRK1OPRD1CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273264-B2 Liquid-crystal compounds and LC media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-25 US disclosed
US-8273264-B2 Liquid-crystal compounds and LC media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-25 US disclosed
US-8273264-B2 Liquid-crystal compounds and LC media MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-25 US disclosed
EP-2208775-B1 Liquid crystalline compound and liquid crystalline medium MERCK PATENT GMBH (DE) 2012-07-25 EP disclosed
US-20100181533-A1 Liquid-crystal compounds and LC media MERCK KGAA (DE) 2010-07-22 US disclosed
US-20100181533-A1 Liquid-crystal compounds and LC media MERCK KGAA (DE) 2010-07-22 US disclosed
US-20100181533-A1 Liquid-crystal compounds and LC media MERCK KGAA (DE) 2010-07-22 US disclosed
EP-2208775-A1 Liquid crystal compounds and FK media Merck Patent GmbH (DE) 2010-07-21 EP disclosed
EP-2208775-A1 Liquid crystal compounds and FK media Merck Patent GmbH (DE) 2010-07-21 EP 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-20100181533-A1 Liquid-crystal compounds and LC media VCL, LCT, NEFM OPRM1 1785/4885OPRL1 1786/4885OPRK1 2202/4885

“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.