SCHEMBL12823932

SCHEMBL12823932

CCCC(O)c1ccc(-c2ccc(C3CCC(OC(=O)c4ccc(OCC)cc4F)CC3)c(F)c2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 2/20 0.36
PTGS2 P35354 2/20 0.35
CAMKK1 Q8N5S9 2/20 0.35
CAMKK2 Q96RR4 2/20 0.35
ACACB O00763 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
NAAA Q02083 1/20 0.34
FFAR1 O14842 1/20 0.33
CRBN Q96SW2 1/20 0.33
APP P05067 1/20 0.33
DHODH Q02127 1/20 0.32

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
SCHEMBL13586172 0.93 PTGS2 (0.35) CPS1PTGS2CAMKK1CAMKK2ACACB
SCHEMBL12719389 0.91 ACACB (0.33) ACACBFFAR4NAAAFFAR1CRBN
SCHEMBL12719399 0.91 CRBN (0.34) ACACBMEN1KMT2AFFAR4NAAA
SCHEMBL12823935 0.90 TYR (0.34) NAAAAPP
SCHEMBL14766831 0.90 FFAR4 (0.42) CPS1CAMKK1CAMKK2FFAR4NAAA
SCHEMBL12822684 0.87 ACACB (0.33) PTGS2CAMKK1CAMKK2ACACBMEN1
SCHEMBL14767265 0.87 FFAR4 (0.44) CPS1CAMKK1CAMKK2FFAR4NAAA
SCHEMBL12741452 0.87 CAMKK1 (0.39) CPS1CAMKK1CAMKK2FFAR4NAAA
SCHEMBL12741476 0.87 CAMKK1 (0.39) CPS1CAMKK1CAMKK2FFAR4NAAA
SCHEMBL12719765 0.87 NAAA (0.45) CPS1CAMKK1CAMKK2FFAR4NAAA

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 CPS1 4819/4885PTGS2 3919/4885CAMKK1 1995/4885

“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.