SCHEMBL221601

SCHEMBL221601

COCCCOc1cc(CC(C=O)C(C)C)ccc1OS(=O)(=O)c1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.36
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR2 Q92731 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL221600 0.84 ALDH1A1 (0.41) RENMEN1GAAKMT2A
SCHEMBL218707 0.80 REN (0.47) REN
SCHEMBL14777605 0.80 REN (0.47) REN
SCHEMBL220393 0.76 MEN1 (0.47) RENMEN1KMT2APTGESALOX5
SCHEMBL253884 0.74 FOS (0.49) RENMEN1ESR1GAAKMT2A
SCHEMBL31666050 0.67 LDHA (0.55) MEN1KMT2APPARG
SCHEMBL2575301 0.67 LDHA (0.55) MEN1KMT2APPARG
SCHEMBL2568835 0.67 LDHA (0.55) MEN1KMT2APPARG
SCHEMBL3914703 0.67 REN (0.52) REN
SCHEMBL3912919 0.67 REN (0.52) REN

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-8088954-B2 Preparation of a saturated aldehyde DSM IP ASSETS B.V. (NL) 2012-01-03 US claimed
US-20100197972-A1 PREPARATION OF A SATURATED ALDEHYDE DSM IP ASSETS B.V. (NL) 2010-08-05 US claimed
EP-2173696-A1 PREPARATION OF A SATURATED ALDEHYDE DSM IP Assets B.V. (NL) 2010-04-14 EP claimed
WO-2009007461-A1 PREPARATION OF A SATURATED ALDEHYDE DSM IP ASSETS B.V. (NL) 2009-01-15 WO claimed
US-8088954-B2 Preparation of a saturated aldehyde DSM IP ASSETS B.V. (NL) 2012-01-03 US disclosed
US-20110294171-A1 PREPARATION OF A SATURATED ALDEHYDE DSM IP ASSETS B.V. (NL) 2011-12-01 US disclosed
US-20100197972-A1 PREPARATION OF A SATURATED ALDEHYDE DSM IP ASSETS B.V. (NL) 2010-08-05 US disclosed
EP-2173696-A1 PREPARATION OF A SATURATED ALDEHYDE DSM IP Assets B.V. (NL) 2010-04-14 EP disclosed
WO-2009007461-A1 PREPARATION OF A SATURATED ALDEHYDE DSM IP ASSETS B.V. (NL) 2009-01-15 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 (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-20100197972-A1 PREPARATION OF A SATURATED ALDEHYDE H1-0, F9, HRH4 REN 112/4885MEN1 2853/4885ESR1 1765/4885
US-20110294171-A1 PREPARATION OF A SATURATED ALDEHYDE H1-0, F9, HRH4 REN 112/4885MEN1 2853/4885ESR1 1765/4885

“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.