SCHEMBL4890377

SCHEMBL4890377

CN(C)c1ccc(-c2ccccc2C(F)(F)F)c(N(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.49
PDK2 Q15119 1/20 0.47
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
MAPK1 P28482 3/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HIF1A Q16665 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
CYP2D6 P10635 3/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP2C19 P33261 2/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL26262574 0.83 ACP1 (0.48) ACP1PDK2CYP1A2CYP3A4MAPK1
SCHEMBL26262323 0.80 ACP1 (0.46) ACP1CYP1A2CYP3A4MAPK1TSHR
SCHEMBL13990192 0.79 TSHR (0.48) ACP1PDK2CYP3A4MAPK1TSHR
SCHEMBL27014441 0.75 ACP1 (0.44) ACP1CYP1A2CYP3A4MAPK1TSHR
SCHEMBL31049801 0.75 ALDH1A1 (0.42) PDK2MAPK1TSHRALOX15HSD17B10
SCHEMBL31049803 0.75 ALDH1A1 (0.42) PDK2MAPK1TSHRALOX15HSD17B10
SCHEMBL27015662 0.74 ACP1 (0.41) ACP1CYP1A2CYP3A4MAPK1TSHR
SCHEMBL27014476 0.73 ACP1 (0.43) ACP1CYP1A2CYP3A4MAPK1TSHR
SCHEMBL197671 0.72 HSD11B1 (0.56) CYP1A2CYP3A4MAPK1ALOX15HSD17B10
SCHEMBL18000078 0.71 CRHR1 (0.43) PDK2TSHRALOX15HSD17B10JAK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9944723-B2 Photopolymerizable compositions featuring novel amine accelerator for improved color stability and reduced polymerization stress thereby DENTSPLY SIRONA INC. (US) 2018-04-17 US disclosed
US-9522967-B2 Photopolymerizable compositions featuring novel amine accelerator for improved color stability and reduced polymerization stress thereby DENTSPLY INTERNATIONAL INC. (US) 2016-12-20 US disclosed
US-20160228334-A1 PHOTOPOLYMERIZABLE COMPOSITIONS FEATURING NOVEL AMINE ACCELERATOR FOR IMPROVED COLOR STABILITY AND REDUCED POLYMERIZATION STRESS THEREBY DENTSPLY SIRONA INC. 2016-08-11 US disclosed
US-20080306179-A1 Photopolymerizable compositions featuring novel amine accelerator for improved color stability and reduced polymerization stress thereby DENTSPLY SIRONA INC. 2008-12-11 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-20160228334-A1 PHOTOPOLYMERIZABLE COMPOSITIONS FEATURING NOVEL AMINE ACCELERATOR FOR IMPROVED COLOR STABILITY AND REDUCED POLYMERIZATION STRESS THEREBY RAD51, PNMT, FANCD2 ACP1 2448/4885PDK2 2573/4885CYP1A2 1511/4885

“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.