SCHEMBL20437887

SCHEMBL20437887

CC(C)c1ccc(OCCOC2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MAOB P27338 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
LNPEP Q9UIQ6 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL25756996 0.92 KMT2A (0.50) KMT2AMEN1HPGDKDM4EPSMB1
SCHEMBL6761930 0.87 HPGD (0.51) HPGDALDH1A1KDM4ENFE2L2CYP1A2
SCHEMBL20444308 0.85 KMT2A (0.46) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL20444281 0.82 TP53 (0.46) KMT2AMEN1HPGDKDM4EMAOB
SCHEMBL20869253 0.82 KDM4E (0.59) HPGDALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL11519998 0.82 NFE2L2 (0.63) HPGDKDM4ENFE2L2CYP1A2CYP2D6
SCHEMBL19455128 0.82 HPGD (0.52) HPGDALDH1A1KDM4ENFE2L2CYP1A2
SCHEMBL10216417 0.81 KDM4E (0.52) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL7106735 0.80 HPGD (0.45) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL7108441 0.79 HPGD (0.50) KMT2AMEN1HPGDALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-08-02 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-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 KMT2A 333/4885MEN1 1217/4885HPGD 2618/4885

“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.