SCHEMBL221600

SCHEMBL221600

COCCCOc1cc(CC(C=O)C(C)C)ccc1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
GAA P10253 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
REN P00797 5/20 0.40
GFER P55789 1/20 0.39
MAPT P10636 7/20 0.38
TDP1 Q9NUW8 3/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 4/20 0.37
APP P05067 1/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL221601 0.84 REN (0.36) GAAMEN1KMT2AREN
SCHEMBL14777605 0.81 REN (0.47) REN
SCHEMBL218707 0.81 REN (0.47) REN
SCHEMBL253884 0.76 FOS (0.49) ALDH1A1GAAMEN1KMT2ACYP1A2
SCHEMBL220393 0.73 MEN1 (0.47) MEN1KMT2ACYP3A4RENTDP1
SCHEMBL31666050 0.69 LDHA (0.55) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL2568835 0.69 LDHA (0.55) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL2575301 0.69 LDHA (0.55) ALDH1A1MEN1KMT2ALMNAHTT
SCHEMBL3914703 0.69 REN (0.52) REN
SCHEMBL3912919 0.69 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 ALDH1A1 21/4885GAA 1752/4885MEN1 2853/4885
US-20110294171-A1 PREPARATION OF A SATURATED ALDEHYDE H1-0, F9, HRH4 ALDH1A1 21/4885GAA 1752/4885MEN1 2853/4885

“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.