SCHEMBL5600481

SCHEMBL5600481

CC(C)(C)c1ccc2oc(C(=O)O)cc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.71
PIM2 Q9P1W9 4/20 0.71
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
CSNK2A1 P68400 3/20 0.50
CSNK2A2 P19784 2/20 0.50
CSNK2B P67870 2/20 0.50
CSNK2A3 Q8NEV1 2/20 0.50
ADAM17 P78536 1/20 0.48
CYP26A1 O43174 1/20 0.47
CYP26B1 Q9NR63 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GLA P06280 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.46
BRCA1 P38398 1/20 0.46
CASP7 P55210 1/20 0.46

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
Methylene Chloride SCHEMBL28171003 0.95 PIM1 (0.66) PIM1PIM2LMNATP53CSNK2A1
SCHEMBL11493949 0.89 PIM1 (0.74) PIM1PIM2LMNATP53CSNK2A1
SCHEMBL9263927 0.87 LMNA (0.63) PIM1PIM2LMNATP53ADAM17
SCHEMBL27608549 0.87 PIM1 (0.54) PIM1PIM2LMNATP53CSNK2A1
SCHEMBL5219750 0.83 PIM1 (1.00) PIM1PIM2LMNATP53CSNK2A1
SCHEMBL9259864 0.81 PIM1 (0.49) PIM1PIM2LMNATP53CSNK2A1
SCHEMBL5564616 0.80 ALDH1A1 (0.61) PIM1PIM2LMNACSNK2A1CSNK2A2
SCHEMBL702631 0.77 PIM1 (0.64) PIM1PIM2LMNATP53CSNK2A1
SCHEMBL9257649 0.77 RXRA (0.52) PIM1PIM2LMNATP53CYP26A1
SCHEMBL28826823 0.76 AKR1B1 (0.63) PIM1PIM2LMNATP53CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100413882-C Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2008-08-27 CN claimed
US-7273856-B2 Linear basic compounds having NK-2 antagonist activity and formulations thereof MENARINI RICERCHE S.P.A. (IT) 2007-09-25 US claimed
EP-1442050-B1 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI SAS (IT) 2006-09-13 EP claimed
CN-1578786-A Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2005-02-09 CN claimed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US claimed
CN-107151255-A Boric acid compound and its production and use 复旦大学 2017-09-12 CN disclosed
CN-100413882-C Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2008-08-27 CN disclosed
US-7273856-B2 Linear basic compounds having NK-2 antagonist activity and formulations thereof MENARINI RICERCHE S.P.A. (IT) 2007-09-25 US disclosed
EP-1442050-B1 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI SAS (IT) 2006-09-13 EP disclosed
CN-1578786-A Linear basic compounds having NK-2 antagonistic activity and formulations thereof MENARINI RICERCHE SPA (IT) 2005-02-09 CN disclosed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 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-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof BDKRB2, BDKRB1, TACR2 PIM1 3365/4885PIM2 2837/4885LMNA 2340/4885

“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.