SCHEMBL1638152

SCHEMBL1638152

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
FEN1 P39748 1/20 0.43
PTGER4 P35408 3/20 0.39
PTGER3 P43115 3/20 0.39
PTGER2 P43116 3/20 0.39
ERN1 O75460 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1641652 0.86 NPC1 (0.51) RXRARXRBRXRGMAOBTDP1
SCHEMBL6501237 0.85 MRGPRX4 (0.45) RXRARXRBRXRGCCNB2CDK1
SCHEMBL28877513 0.84 CCNB2 (0.53) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL20772347 0.82 RAB9A (0.48) RXRARXRBRXRGMAPTTDP1
SCHEMBL2291400 0.81 ALDH1A1 (0.39) RXRARXRBRXRGCDK4CCND1
SCHEMBL1728866 0.80 PIM1 (0.44) ERN1TDP1SRCLMNAGAA
SCHEMBL1254406 0.80 ALDH1A1 (0.41) RXRAERN1SRCGAAKDM4E
SCHEMBL2574855 0.80 PTGER4 (0.55) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL1759115 0.80 FEN1 (0.44) RXRARXRBRXRGMAOAMAOB
SCHEMBL6034516 0.79 PTGER4 (0.46) CCNB2CDK1CDK4CCNB1CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557936-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-15 US disclosed
US-8557936-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-10-15 US disclosed
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
US-8530593-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-10 US disclosed
CN-102753584-A Catalyst compounds and use thereof EXXONMOBIL CHEM PATENTS INC 2012-10-24 CN disclosed
CN-102666597-A Catalyst compounds and use thereof EXXONMOBIL CHEM PATENTS INC 2012-09-12 CN disclosed
EP-2493932-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
EP-2493934-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056428-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO 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
US-20110098425-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098425-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
US-20110098431-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 (3 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-20110098431-A1 Catalyst Compounds and Use Thereof PAM, AAAS, PAOX RXRA 3418/4885RXRB 3467/4885RXRG 3832/4885
US-20110098425-A1 Catalyst Compounds and Use Thereof ALOX12, THEM6, ALOX15 RXRA 1872/4885RXRB 2650/4885RXRG 1605/4885
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.