SCHEMBL1638876

SCHEMBL1638876

CC(=O)c1cccc(C(C)(C)C)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAOB P27338 3/20 0.49
PTPN1 P18031 1/20 0.46
NR1H4 Q96RI1 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SGMS2 Q8NHU3 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PTGER1 P34995 1/20 0.42
FEN1 P39748 1/20 0.42

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
SCHEMBL7100827 0.90 RXRA (0.55) RXRARXRBRXRGPTPN1NR1H4
SCHEMBL27894248 0.86 RXRA (0.48) RXRARXRBRXRGMAPTCYP2C9
SCHEMBL1636758 0.86 RXRA (0.51) RXRARXRBRXRGSMN1; SMN2L3MBTL1
SCHEMBL8980650 0.82 MAOB (0.54) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL8489879 0.81 MAPT (0.57) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL1643862 0.79 NR1H4 (0.46) RXRARXRBRXRGNR1H4LMNA
SCHEMBL1637804 0.79 TDP1 (0.48) RXRARXRBRXRGMAPTCYP2C19
SCHEMBL1639034 0.78 MAOB (0.50) RXRARXRBRXRGMAPTCYP2C9
SCHEMBL12646900 0.78 TSHR (0.44) RXRAMAPTSMN1; SMN2TDP1L3MBTL1
SCHEMBL5307369 0.78 SCN9A (0.58) RXRAMAPTCYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
US-8541522-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
EP-2493932-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056423-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed
US-20110098429-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098429-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 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-20110098429-A1 Catalyst Compounds and Use Thereof ALOX12, THEM6, ALOX15 RXRA 1872/4885RXRB 2650/4885RXRG 1605/4885

“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.