SCHEMBL658204

SCHEMBL658204

O=C1CCC2(CC1)OCCCCO2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL143134 0.95 TRIM24 (0.36) TRIM24TRIM33ALDH1A1KMT2AMEN1
SCHEMBL46361 0.90 KMT2A (0.34) TRIM24TRIM33ALDH1A1KMT2AMEN1
Water SCHEMBL31387323 0.87 ALDH1A1 (0.33) TRIM24TRIM33ALDH1A1KMT2AMEN1
SCHEMBL13276962 0.86 TRIM24 (0.39) TRIM24TRIM33ALDH1A1KMT2AMEN1
SCHEMBL14506033 0.83 TRIM24 (0.41) TRIM24TRIM33ALDH1A1KDM4EPOLB
SCHEMBL8603903 0.82 ALDH1A1 (0.46) TRIM24TRIM33ALDH1A1KMT2AMEN1
SCHEMBL7523454 0.81 GAA (0.32)
SCHEMBL31715737 0.81 GAA (0.33) ALDH1A1KMT2AMEN1CYP2C9KDM4E
SCHEMBL12350017 0.80 TRIM24 (0.43) TRIM24TRIM33ALDH1A1KMT2AMEN1
SCHEMBL13500408 0.79 MEN1 (0.34) TRIM24TRIM33ALDH1A1KMT2AMEN1

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-4294761-A Preparation of 7,12-dioxaspiro[5,6]dodecane-3-one EASTMAN KODAK COMPANY (US) 1981-10-13 US claimed
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP disclosed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US disclosed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 WO disclosed
US-4721725-A Aryl-cycloalkyl[b]pyrrole derivatives E. R. SQUIBB & SONS, INC. (US) 1988-01-26 US disclosed
US-4294761-A Preparation of 7,12-dioxaspiro[5,6]dodecane-3-one EASTMAN KODAK COMPANY (US) 1981-10-13 US disclosed
US-4294761-A Preparation of 7,12-dioxaspiro[5,6]dodecane-3-one EASTMAN KODAK COMPANY (US) 1981-10-13 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P TRIM24 1665/4885TRIM33 847/4885ALDH1A1 1996/4885

“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.