SCHEMBL4624403

SCHEMBL4624403

O=C(CCCCC(=O)OCc1ccco1)OCc1ccco1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
EGFR P00533 1/20 0.55
ERBB2 P04626 1/20 0.55
TDP1 Q9NUW8 5/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 5/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.46
SLC1A3 P43003 1/20 0.45
SLC1A2 P43004 1/20 0.45
SLC1A1 P43005 1/20 0.45
ELANE P08246 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ESR1 P03372 1/20 0.43
APEX1 P27695 1/20 0.43
EPHX2 P34913 3/20 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
SCHEMBL11000864 0.98 ALDH1A1 (0.62) ALDH1A1EGFRERBB2TDP1MAPK1
SCHEMBL11002116 0.98 ALDH1A1 (0.62) ALDH1A1EGFRERBB2TDP1MAPK1
SCHEMBL11001635 0.98 ALDH1A1 (0.62) ALDH1A1EGFRERBB2TDP1MAPK1
SCHEMBL10998807 0.96 ALDH1A1 (0.64) ALDH1A1EGFRERBB2TDP1MAPK1
SCHEMBL4624408 0.94 ALDH1A1 (0.57) ALDH1A1EGFRERBB2TDP1MAPK1
SCHEMBL27487029 0.94 ALDH1A1 (0.57) ALDH1A1EGFRERBB2TDP1MAPK1
SCHEMBL11002356 0.93 ALDH1A1 (0.68) ALDH1A1EGFRERBB2TDP1MAPK1
SCHEMBL496301 0.92 ALDH1A1 (0.55) ALDH1A1EGFRERBB2TDP1MAPK1
SCHEMBL18100193 0.92 ALDH1A1 (0.55) ALDH1A1EGFRERBB2TDP1MAPK1
SCHEMBL8579272 0.92 ALDH1A1 (0.59) ALDH1A1EGFRERBB2TDP1MAPK1

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
CN-109627360-B Agglomerated propylene containing thermally reversible crosslinking group and preparation method thereof 江苏中煦聚烯烃研究院有限公司 2021-04-09 CN disclosed
US-20180140550-A1 CLEAVABLE POLYMERIC MICELLES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-05-24 US disclosed
CN-106589238-A Broad-spectrum absorption macromolecular ultraviolet ray absorber and preparation method thereof 广西师范学院 2017-04-26 CN disclosed
US-20170051200-A1 Diels-Alder Coupled Proppant Binder Resins BATTELLE MEMORIAL INSTITUTE 2017-02-23 US disclosed
US-20170051200-A1 Diels-Alder Coupled Proppant Binder Resins BATTELLE MEMORIAL INSTITUTE 2017-02-23 US disclosed
US-20160058702-A1 CLEAVABLE POLYMERIC MICELLES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-03-03 US disclosed
WO-2016033415-A2 CLEAVABLE POLYMERIC MICELLES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-03-03 WO disclosed
US-7371396-B2 Dermatological and cosmetic compositions RELIVIA SRL (IT) 2008-05-13 US disclosed
EP-1392282-B1 DERMATOLOGICAL AND COSMETIC COMPOSITIONS COMPRISING A FURFURYL DERIVATIVE RELIVIA SRL (IT) 2008-02-06 EP disclosed
EP-1392282-A2 DERMATOLOGICAL AND COSMETIC COMPOSITIONS Ghisalberti, Carlo (BR) 2004-03-03 EP disclosed
WO-2002092026-A2 DERMATOLOGICAL AND COSMETIC COMPOSITIONS GHISALBERTI CARLO (BR) 2002-11-21 WO disclosed
US-6042227-A Hot melt phase change ink containing Diels-Alder polymerization precursor XEROX CORPORATION (US) 2000-03-28 US disclosed
US-5489451-A Reversibly crosslinked orientable liquid crystalline polymers ROEHM GMBH CHEMISCHE FABRIK (DE) 1996-02-06 US disclosed
US-4529807-A Furfuryl esters and resins CL INDUSTRIES, INC. (US) 1985-07-16 US disclosed
US-4481310-A Furfuryl esters and resins CL INDUSTRIES, INC. (US) 1984-11-06 US disclosed
US-4478962-A WITH ACID CURABLE FURFURYL ALCOHOL PREPOLYMERS CL INDUSTRIES, INC. (US) 1984-10-23 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 (2 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-20160058702-A1 CLEAVABLE POLYMERIC MICELLES LGMN, CA1, HPN ALDH1A1 2026/4885EGFR 438/4885ERBB2 735/4885
US-20180140550-A1 CLEAVABLE POLYMERIC MICELLES LGMN, CA1, HPN ALDH1A1 2026/4885EGFR 438/4885ERBB2 735/4885

“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.