SCHEMBL4154416

SCHEMBL4154416

COc1cc(C)c(Cl)cc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.39
CD44 P16070 1/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL4856785 0.91 LMNA (0.44) TSHRGLAKMT2AALDH1A1LMNA
SCHEMBL4159527 0.84 GAA (0.41) TSHRALDH1A1LMNAMAPTPKM
SCHEMBL13547713 0.83 GAA (0.47) TSHRGLAKMT2AALDH1A1LMNA
SCHEMBL22595830 0.82 HTR2A (0.44) TSHRLMNAMAPTHTR1AHTR2A
SCHEMBL29587813 0.81 GLA (0.53) TSHRGLAKMT2AALDH1A1LMNA
SCHEMBL8233721 0.81 GLA (0.53) TSHRGLAKMT2AALDH1A1LMNA
SCHEMBL1755249 0.79 NPC1 (0.58) TSHRGLAKMT2AALDH1A1LMNA
SCHEMBL3754009 0.79 GLA (0.52) TSHRGLAKMT2AALDH1A1LMNA
SCHEMBL7139169 0.79 HTR2A (0.46) TSHRKMT2ALMNAMEN1MAPT
SCHEMBL4179556 0.77 GAA (0.50) TSHRALDH1A1LMNAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
CN-108026077-B Phenoxymethyl derivatives 豪夫迈·罗氏有限公司 2021-11-05 CN disclosed
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 EP disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 EP disclosed
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 US disclosed
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
EP-3344619-A1 PHENOXYMETHYL DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-07-11 EP disclosed
WO-2017037146-A1 PHENOXYMETHYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-09 WO disclosed
WO-2017037146-A1 PHENOXYMETHYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-03-09 WO disclosed
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
EP-1670763-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
WO-2005037793-A1 CYCLOPENTENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 WO 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 (5 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-20200339522-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 TSHR 1723/4885GLA 2253/4885KMT2A 530/4885
US-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B TSHR 479/4885GLA 1896/4885KMT2A 3463/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 TSHR 1723/4885GLA 2253/4885KMT2A 530/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 TSHR 1723/4885GLA 2253/4885KMT2A 530/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 TSHR 1723/4885GLA 2253/4885KMT2A 530/4885

“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.