SCHEMBL16983552

SCHEMBL16983552

CCCC1CCC(C2CCC(C3CCC(C(=O)Oc4ccc(C(=O)CC)c(C(F)(F)F)c4F)CC3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 2/20 0.31
CYP2C9 P11712 1/20 0.31
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TLR4 O00206 1/20 0.30
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL16983264 1.00 POLB (0.32) POLBHPGDNPC1CYP2C9MEN1
SCHEMBL16983255 0.97 HPGD (0.33) POLBHPGDNPC1CYP2C9MEN1
SCHEMBL16979211 0.87 POLB (0.33) POLBHPGDNPC1CYP2C9MEN1
SCHEMBL16979242 0.87 POLB (0.33) POLBHPGDNPC1CYP2C9MEN1
SCHEMBL16983558 0.86 SLC6A9 (0.34) HPGDCYP2C9GAA
SCHEMBL16983260 0.86 SLC6A9 (0.34) HPGDCYP2C9GAA
SCHEMBL16983507 0.84 ENPP2 (0.31) HPGDNPC1MEN1RAB9AKMT2A
SCHEMBL16983261 0.84 NPC1 (0.32) POLBNPC1CYP2C9MEN1RAB9A
SCHEMBL16983551 0.84 NPC1 (0.32) POLBNPC1CYP2C9MEN1RAB9A
SCHEMBL16979154 0.84 HPGD (0.34) POLBHPGDNPC1CYP2C9MEN1

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 POLB 3660/4885HPGD 4387/4885NPC1 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.