SCHEMBL4124752

SCHEMBL4124752

CC(C)(O)c1cccc(I)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ACHE P22303 2/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
TP53BP1 Q12888 1/20 0.35
APP P05067 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
RAB9A P51151 1/20 0.33
HIF1A Q16665 1/20 0.33
NR4A2 P43354 1/20 0.33
KCNH2 Q12809 1/20 0.33
SYK P43405 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL304190 0.83 ESR1 (0.50) ESR1ESR2ACHEHDAC4HDAC2
SCHEMBL134474 0.81 HDAC8 (0.47) ESR1ESR2ACHEHDAC4HDAC2
SCHEMBL26068824 0.79 ACHE (0.36) ESR1ESR2ACHEHDAC4HDAC2
SCHEMBL26811585 0.79 ESR1 (0.34) ESR1ESR2HDAC4HDAC2HDAC8
SCHEMBL5669662 0.78 CNR1 (0.42) ESR1ESR2ACHEHDAC4HDAC2
SCHEMBL4251026 0.78 ESR1 (0.52) ESR1ESR2ACHEHDAC4HDAC2
SCHEMBL17864482 0.78 RXRA (0.47) ESR1NR4A2KCNH2SYKMEN1
SCHEMBL18243516 0.77 FAAH (0.39) ESR1ESR2ACHEHDAC4HDAC2
SCHEMBL30148546 0.77 TAS1R3 (0.37) ESR1ESR2ACHETP53BP1KCNH2
SCHEMBL6899596 0.77 TAS1R3 (0.37) ESR1ESR2ACHETP53BP1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108690164-B Acid-cleavable monomers and polymers comprising the same 罗门哈斯电子材料有限责任公司 2021-05-11 CN disclosed
CN-112533913-A Novel compounds 英夫拉索姆有限公司 2021-03-19 CN disclosed
EP-3788041-A1 NOVEL COMPOUNDS Inflazome Limited (IE) 2021-03-10 EP disclosed
CN-108690164-A Sour cleavable monomer and the polymer including it 罗门哈斯电子材料有限责任公司 2018-10-23 CN disclosed
US-10095109-B1 Acid-cleavable monomer and polymers including the same ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-10-09 US disclosed
US-20180284605-A1 ACID-CLEAVABLE MONOMER AND POLYMERS INCLUDING THE SAME U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2018-10-04 US disclosed
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 US disclosed
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 US disclosed
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 US disclosed
CN-100439366-C Pyrido[2,3-d]pyrimidine-2,4-diamines as PDE2 inhibitors PFIZER PROD INC (US) 2008-12-03 CN disclosed
EP-1912977-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF Merck Frosst Canada Ltd. (CA) 2008-04-23 EP disclosed
EP-1697356-B1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PROD INC (US) 2008-02-27 EP disclosed
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PFIZER INC. 2007-06-14 US disclosed
WO-2007014454-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2007-02-08 WO disclosed
CN-1894245-A Pyrido[2,3-d]pyrimidine-2,4-diamines as PDE2 inhibitors PFIZER PROD INC (US) 2007-01-10 CN disclosed
EP-1697356-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS Pfizer Products Incorporated (US) 2006-09-06 EP disclosed
WO-2005061497-A1 PYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINES AS PDE 2 INHIBITORS PFIZER PRODUCTS INC. (US) 2005-07-07 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 (4 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-20180284605-A1 ACID-CLEAVABLE MONOMER AND POLYMERS INCLUDING THE SAME FURIN, IDUA, ADAM9 ESR1 820/4885ESR2 2764/4885ACHE 1617/4885
US-10095109-B1 Acid-cleavable monomer and polymers including the same FURIN, IDUA, ADAM9 ESR1 820/4885ESR2 2764/4885ACHE 1617/4885
US-20070135457-A1 Pyrido[2,3-d]pyrimidine-2,4-diamines as pde2 inhibitors PDE12, PDE2A, PDE3A ESR1 3705/4885ESR2 2381/4885ACHE 319/4885
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 ESR1 221/4885ESR2 106/4885ACHE 2164/4885

“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.