SCHEMBL12823693

SCHEMBL12823693

CCC1CCC(c2ccc(C3CCC(CCc4ccc(C5CO5)c(F)c4)CC3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.36
BRD4 O60885 1/20 0.36
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL13586604 0.93 OPRL1 (0.36) OPRL1BRD4SLC6A2SLC6A4SLC6A3
SCHEMBL12718810 0.88 BACE1 (0.39) OPRL1BRD4
SCHEMBL13654032 0.86 OPRL1 (0.33) OPRL1BRD4SLC6A2SLC6A4SLC6A3
SCHEMBL12822857 0.86 BRD4 (0.37) BRD4
SCHEMBL12823698 0.86 OPRL1 (0.33) OPRL1BRD4SLC6A2SLC6A4SLC6A3
SCHEMBL12823700 0.86 OPRL1 (0.34) OPRL1BRD4SLC6A2SLC6A4SLC6A3
SCHEMBL13586600 0.85 OPRL1 (0.34) OPRL1BRD4
SCHEMBL13654033 0.85 OPRL1 (0.32) OPRL1BRD4SLC6A2SLC6A4SLC6A3
SCHEMBL12823701 0.85 BRD4 (0.35) OPRL1BRD4
SCHEMBL12718251 0.85 OPRL1 (0.34) OPRL1BRD4

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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 OPRL1 2073/4885BRD4 1478/4885SLC6A2 3580/4885

“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.