SCHEMBL22147201

SCHEMBL22147201

CC(C)(C)c1ccc(CC(C)(C)c2cccc(C(F)(F)F)c2)cc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
IDO1 P14902 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MAOB P27338 3/20 0.35
PIM1 P11309 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
TACR1 P25103 1/20 0.34
CASR P41180 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.33
VNN1 O95497 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL22761783 0.83 HTR2A (0.39) LMNAIDO1HTR2AHTR2CHTR2B
SCHEMBL24065732 0.83 HSD11B1 (0.36) L3MBTL1CASRTDP1
SCHEMBL20802199 0.78 NR3C1 (0.42)
SCHEMBL19806050 0.78 ESR1 (0.33) HTR2C
SCHEMBL18812974 0.77 HTR2A (0.50) LMNAIDO1HTR2AHTR2CHTR2B
SCHEMBL19841848 0.75 NR1H4 (0.38) IDO1MAPK1MAOBTAAR1
SCHEMBL24065735 0.75 KIF11 (0.37) IDO1HTR2AHTR2CHTR2BKDM4E
SCHEMBL19440196 0.74 MAPT (0.49) SMN1; SMN2IDO1HTR2AHTR2CHTR2B
SCHEMBL20350322 0.73 TSHR (0.42) LMNAIDO1HTR2AHTR2CHTR2B
SCHEMBL24126979 0.72 ESR1 (0.31) HTR2AHTR2CHTR2B

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-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES SEATTLE GENETICS, INC. (US) 2020-06-25 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-20200197524-A1 QUATERNIZED NICOTINAMIDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITOR CONJUGATES NAMPT, NNMT, NADK SMN1; SMN2 1484/4885LMNA 1716/4885IDO1 247/4885

“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.