SCHEMBL20190404

SCHEMBL20190404

CCOC(=O)c1ccc(N(CCN(CCN(c2ccc(C(=O)OCC)cc2)c2ccc(C(=O)OCC)cc2)c2ccc(C(=O)OCC)cc2)CCN(c2ccc(C(=O)OCC)cc2)c2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 4/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL2388270 0.85 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL7460977 0.84 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL8602388 0.84 ESR1 (0.54) CA12CA1CA2CA7CA9
SCHEMBL65692 0.83 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL58345 0.83 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL8119057 0.81 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL279036 0.80 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL1470467 0.79 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL8726492 0.79 RAB9A (0.50) CA12CA1CA2CA7CA9
SCHEMBL87450 0.78 CA1 (0.83) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11274268-B2 Detergent compositions for removing heavy metals and formaldehyde FNG RESEARCH CO., LTD. (KR) 2022-03-15 US disclosed
US-11090247-B2 Compositions for protecting the skin from heavy metals and formaldehyde FNG RESEARCH CO., LTD. (KR) 2021-08-17 US disclosed
US-20210207064-A1 COMPOUND FOR RESTORING CONTAMINATED SOIL OR CONTAMINATED WATER FNG RESEARCH CO., LTD. (KR) 2021-07-08 US disclosed
EP-3778045-A1 COMPOUND FOR RESTORING CONTAMINATED SOIL OR CONTAMINATED WATER FNG Research Co., Ltd. (KR) 2021-02-17 EP disclosed
WO-2020138551-A1 FILTER HAVING HEAVY METAL AND FORMALDEHYDE REMOVAL CAPABILITY (주)에프엔지리서치 2020-07-02 WO disclosed
EP-3544953-A1 COMPOSITIONS FOR PROTECTING THE SKIN FROM HEAVY METALS AND FORMALDEHYDE FNG Research Co., Ltd. (KR) 2019-10-02 EP disclosed
EP-3538631-A1 DETERGENT COMPOSITIONS FOR REMOVING HEAVY METALS AND FORMALDEHYDE FNG Research Co., Ltd. (KR) 2019-09-18 EP disclosed
WO-2018174337-A1 DETERGENT COMPOSITIONS FOR REMOVING HEAVY METALS AND FORMALDEHYDE FNG RESEARCH CO., LTD. (KR) 2018-09-27 WO disclosed
WO-2018097431-A1 COMPOSITIONS FOR PROTECTING THE SKIN FROM HEAVY METALS AND FORMALDEHYDE FNG RESEARCH CO., LTD. (KR) 2018-05-31 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 (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-11090247-B2 Compositions for protecting the skin from heavy metals and formaldehyde FSCN1, SLC40A1, HCN2 CA12 133/4885CA1 104/4885CA2 35/4885

“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.