SCHEMBL220393

SCHEMBL220393

COCCCOc1cc(CC(C=O)C(C)C)ccc1OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
REN P00797 12/20 0.43
HPGD P15428 1/20 0.41
PPARG P37231 3/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2A P28223 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALOX15 P16050 2/20 0.39

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
SCHEMBL14777605 0.83 REN (0.47) REN
SCHEMBL218707 0.83 REN (0.47) REN
SCHEMBL253884 0.80 FOS (0.49) MEN1CYP3A4KMT2ATDP1REN
SCHEMBL221601 0.76 REN (0.36) MEN1KMT2ARENPPARGPTGES
SCHEMBL221600 0.73 ALDH1A1 (0.41) MEN1CYP3A4KMT2ATDP1REN
SCHEMBL2507768 0.73 ALOX15 (0.56) MEN1CYP3A4KMT2ATDP1L3MBTL1
SCHEMBL28586882 0.72 REN (0.39) CYP3A4RENPPARGPPARDPPARA
SCHEMBL17980660 0.72 LMNA (0.58) MEN1CYP3A4KMT2ARENHPGD
SCHEMBL811494 0.71 LDHA (0.55) RENPPARA
SCHEMBL2137730 0.71 LDHA (0.55) RENPPARA

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 MEN1 2853/4885CYP3A4 120/4885KMT2A 435/4885
US-20110294171-A1 PREPARATION OF A SATURATED ALDEHYDE H1-0, F9, HRH4 MEN1 2853/4885CYP3A4 120/4885KMT2A 435/4885

“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.