SCHEMBL16983255

SCHEMBL16983255

CCCC1CCC(C(=O)Oc2ccc(C(=O)CC)c(C(F)(F)F)c2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.33
CYP2C9 P11712 1/20 0.33
NPC1 O15118 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 3/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.31
ACHE P22303 1/20 0.31
HTR4 Q13639 1/20 0.31

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
SCHEMBL16983552 0.97 POLB (0.32) HPGDCYP2C9NPC1MEN1RAB9A
SCHEMBL16983264 0.97 POLB (0.32) HPGDCYP2C9NPC1MEN1RAB9A
SCHEMBL16979154 0.86 HPGD (0.34) HPGDCYP2C9NPC1MEN1RAB9A
SCHEMBL9406600 0.84 CYP2C9 (0.40) HPGDCYP2C9NPC1MEN1RAB9A
SCHEMBL9406597 0.84 CYP2C9 (0.40) HPGDCYP2C9NPC1MEN1RAB9A
SCHEMBL16983355 0.83 NPC1 (0.34) HPGDCYP2C9NPC1MEN1RAB9A
SCHEMBL16979242 0.83 POLB (0.33) HPGDCYP2C9NPC1MEN1RAB9A
SCHEMBL16979211 0.83 POLB (0.33) HPGDCYP2C9NPC1MEN1RAB9A
SCHEMBL16983558 0.83 SLC6A9 (0.34) HPGDCYP2C9GAA
SCHEMBL16983260 0.83 SLC6A9 (0.34) HPGDCYP2C9GAA

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-9783481-B2 Carbonyl derivative, liquid crystal composition containing compound thereof and liquid crystal display device JNC CORPORATION (JP) 2017-10-10 US disclosed
US-20150218452-A1 CARBONYL DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING COMPOUND THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-08-06 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-20150218452-A1 CARBONYL DERIVATIVE, LIQUID CRYSTAL COMPOSITION CONTAINING COMPOUND THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE RCC2, RCC1, ROCK2 HPGD 4387/4885CYP2C9 1928/4885NPC1 2799/4885

“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.