SCHEMBL3111114

SCHEMBL3111114

O=C(O)c1ccc2oc3ccc(OCCO)cc3c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ACSL1 P33121 2/20 0.50
ACSL6 Q9UKU0 2/20 0.50
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP2C9 P11712 1/20 0.48
PTGER1 P34995 1/20 0.48
PTGER3 P43115 1/20 0.48
PTGER2 P43116 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGDR Q13258 1/20 0.48
TTR P02766 2/20 0.48
GAA P10253 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL7542790 0.93 ACSL1 (0.59) LMNAACSL1ACSL6KDM4EALDH1A1
SCHEMBL10452813 0.87 KDM4E (0.60) ACSL1ACSL6KDM4EALDH1A1HPGD
SCHEMBL10893810 0.87 ACSL1 (0.61) ACSL1ACSL6KDM4EALDH1A1HPGD
SCHEMBL10453813 0.86 KDM4E (0.59) ACSL1ACSL6KDM4EALDH1A1HPGD
SCHEMBL10453814 0.86 KDM4E (0.59) ACSL1ACSL6KDM4EALDH1A1HPGD
SCHEMBL9352912 0.84 ACSL1 (0.53) LMNAACSL1ACSL6KDM4EALDH1A1
SCHEMBL10454273 0.81 ACSL1 (0.61) ACSL1ACSL6KDM4EALDH1A1HPGD
SCHEMBL10627793 0.81 ABCG2 (0.58) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10454185 0.81 KDM4E (0.56) ACSL1ACSL6KDM4EALDH1A1HPGD
SCHEMBL10454119 0.80 ACSL1 (0.60) ACSL1ACSL6KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056600-A1 11BETA-HSD1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC 2010-03-04 US claimed
EP-2141990-A1 11BETA-HSD1 ACTIVE COMPOUNDS High Point Pharmaceuticals, LLC (US) 2010-01-13 EP claimed
WO-2008119017-A1 11BETA-HSD1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC (US) 2008-10-02 WO claimed
US-20100056600-A1 11BETA-HSD1 ACTIVE COMPOUNDS HIGH POINT PHARMACEUTICALS, LLC 2010-03-04 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-20100056600-A1 11BETA-HSD1 ACTIVE COMPOUNDS HSD11B1, HSD3B1, HSD11B2 LMNA 2280/4885ACSL1 231/4885ACSL6 469/4885

“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.