SCHEMBL1637804

SCHEMBL1637804

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
FEN1 P39748 1/20 0.45
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL27488692 0.82 HTR1A (0.61) TDP1TSHRHTR1AADRA1DADRA1A
SCHEMBL12772154 0.81 FEN1 (0.45) TDP1ALDH1A1RXRARXRBRXRG
SCHEMBL8157254 0.80 LMNA (0.50) TSHRRXRARXRBRXRGLMNA
SCHEMBL7100827 0.80 RXRA (0.55) ALDH1A1RXRARXRBRXRGLMNA
SCHEMBL12727687 0.79 BCHE (0.56) TDP1RXRARXRBRXRGHTR1A
SCHEMBL1638876 0.79 RXRA (0.50) TDP1ALDH1A1RXRARXRBRXRG
SCHEMBL6904905 0.78 PTGER4 (0.56) TDP1RXRARXRBRXRGHTR1A
SCHEMBL6723921 0.77 RXRA (0.58) TDP1RXRARXRBRXRGHTR1A
SCHEMBL1638152 0.77 RXRA (0.45) TDP1RXRARXRBRXRGLMNA
SCHEMBL1642760 0.77 FEN1 (0.43) TDP1ALDH1A1TSHRRXRARXRB

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 7 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
CN-102753584-A Catalyst compounds and use thereof EXXONMOBIL CHEM PATENTS INC 2012-10-24 CN 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 TDP1 3187/4885ALDH1A1 3040/4885TSHR 4783/4885

“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.