SCHEMBL2391876

SCHEMBL2391876

CCOC(=O)C(CC)c1ccc(O)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.57
TSHR P16473 2/20 0.55
BLM P54132 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP3A4 P08684 1/20 0.53
NFKB1 P19838 1/20 0.51
MAOB P27338 1/20 0.51
BCHE P06276 2/20 0.50
TYR P14679 2/20 0.50
ACHE P22303 2/20 0.50
GAA P10253 1/20 0.50
PMP22 Q01453 1/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL6552373 0.91 TSHR (0.57) HSD17B2TSHRBLMNPSR1CYP3A4
SCHEMBL17179845 0.90 HSD17B2 (0.54) HSD17B2TSHRBLMNPSR1CYP3A4
SCHEMBL11582477 0.88 CA12 (0.52) ACHEGAAMEN1ALDH1A1MAPT
SCHEMBL490843 0.85 HSD17B2 (0.57) HSD17B2TSHRBLMNPSR1CYP3A4
SCHEMBL298386 0.84 TSHR (0.67) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL16231326 0.84 HSD17B2 (0.56) HSD17B2TSHRBLMNPSR1CYP3A4
SCHEMBL16868808 0.82 TSHR (0.52) HSD17B2TSHRBLMNPSR1CYP3A4
Alcohol SCHEMBL17179872 0.82 TSHR (0.63) TSHRBLMNPSR1CYP3A4NFKB1
SCHEMBL29396091 0.80 ALDH1A1 (0.54) HSD17B2TSHRBLMNPSR1NFKB1
SCHEMBL8588723 0.80 GAA (0.48) HSD17B2TSHRBLMNPSR1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
EP-2932858-A1 Homovanillic acid esters, in particular for achieving an impression of heat and/or spiciness Symrise AG (DE) 2015-10-21 EP disclosed
US-9073898-B2 Crystalline form of an inhibitor of MDM2/4 and p53 interaction NOVARTIS AG (CH) 2015-07-07 US disclosed
US-20130245036-A1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION NOVARTIS AG (CH) 2013-09-19 US disclosed
US-20110230457-A1 Substituted Isoquinolinones and Quinazolinones NOVARTIS AG (CH) 2011-09-22 US disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 EP 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-20110230457-A1 Substituted Isoquinolinones and Quinazolinones MDM4, MDM2, TP53 HSD17B2 1765/4885TSHR 3334/4885BLM 518/4885
US-20130245036-A1 CRYSTALLINE FORM OF AN INHIBITOR OF MDM2/4 AND P53 INTERACTION MDM4, TP53, TP53BP1 HSD17B2 2999/4885TSHR 4124/4885BLM 95/4885

“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.