SCHEMBL12822941

SCHEMBL12822941

CC(O)c1ccc(-c2ccc(C3CCC(OCc4ccc(C5CO5)c(F)c4F)CC3)c(F)c2F)cc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.30
ACACB O00763 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
SCHEMBL13586419 0.88 APP (0.34) HTR1A
SCHEMBL12821208 0.88 APP (0.32) HTR1A
SCHEMBL12822639 0.86 NAAA (0.36) ACACB
SCHEMBL13586190 0.86 NAAA (0.36) ACACB
SCHEMBL12836536 0.86 PIM1 (0.33) HTR1AACACB
SCHEMBL12836566 0.86 PIM1 (0.33) HTR1AACACB
SCHEMBL12823495 0.86 BRD4 (0.34)
SCHEMBL12822087 0.86 ACACB (0.34) HTR1AACACB
SCHEMBL12719134 0.85 NAAA (0.35) HTR1A
SCHEMBL12907031 0.85 HTR1A (0.34) HTR1AACACB

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 HTR1A 484/4885ACACB 3260/4885

“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.