SCHEMBL12823701

SCHEMBL12823701

CCCc1ccc(-c2ccc(C3CCC(CCc4ccc(C5CO5)c(F)c4)CC3)c(F)c2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
OPRL1 P41146 9/20 0.32
MPL P40238 1/20 0.30

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
SCHEMBL13586612 0.93 BRD4 (0.36) BRD4OPRL1
SCHEMBL10164719 0.89 OPRL1 (0.34) BRD4OPRL1
SCHEMBL12822857 0.89 BRD4 (0.37) BRD4
SCHEMBL12823388 0.89 BRD4 (0.35) BRD4OPRL1
SCHEMBL13586604 0.88 OPRL1 (0.36) BRD4OPRL1
SCHEMBL12718904 0.88 BRD4 (0.32) BRD4OPRL1
SCHEMBL12739840 0.87 SLC6A3 (0.34) MAOAMAOBOPRL1MPL
SCHEMBL13586520 0.87 BRD4 (0.35) BRD4MPL
SCHEMBL12823747 0.87 BRD4 (0.34) BRD4OPRL1
SCHEMBL12823101 0.87 BRD4 (0.35) BRD4OPRL1

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 1 patent. 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

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 BRD4 1478/4885MAOA 3183/4885MAOB 3160/4885

“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.