SCHEMBL5956828

SCHEMBL5956828

COC(=O)c1ccc2c(c1C)SCCC2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 4/20 0.38
MITF O75030 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 4/20 0.36
CYP2C19 P33261 4/20 0.36
POLB P06746 2/20 0.36
PTGER4 P35408 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
PDK2 Q15119 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
SCHEMBL7980013 0.85 MAPT (0.38) KDM4EALDH1A1MITFMAPTCYP1A2
SCHEMBL7997428 0.84 KDM4E (0.38) KDM4EHTTALDH1A1MAPTCYP1A2
SCHEMBL7501617 0.78 KDM4E (0.40) KDM4EHTTALDH1A1MAPTCYP1A2
SCHEMBL7620950 0.76 ALDH1A1 (0.40) KDM4EALDH1A1MAPTPOLBPTGER4
SCHEMBL10164855 0.76 KDM4E (0.45) KDM4EALDH1A1MITFMAPTCYP1A2
SCHEMBL7813372 0.74 KDM4E (0.38) KDM4EHTTALDH1A1POLBHPGD
SCHEMBL24362702 0.74 KDM4E (0.39) KDM4EHTTALDH1A1MITFMAPT
SCHEMBL17147631 0.74 L3MBTL1 (0.41) KDM4EALDH1A1MITFMAPTPOLB
SCHEMBL5450432 0.73 ABL1 (0.37) KDM4EHTTALDH1A1MAPTGLA
SCHEMBL7843121 0.73 TSHR (0.39) KDM4EHTTALDH1A1MAPTCYP1A2

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
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 EP disclosed
US-6291682-B1 FOR CONTROLLING WEEDS BASF AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
US-6054414-A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 KDM4E 1686/4885HTT 3077/4885ALDH1A1 2624/4885

“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.