SCHEMBL3596244

SCHEMBL3596244

CC(C)(C)OC(=O)CCn1ccc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
CDK4 P11802 4/20 0.53
CCND1 P24385 4/20 0.53
MAPK1 P28482 4/20 0.52
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 2/20 0.49
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
USP2 O75604 1/20 0.46
HTT P42858 2/20 0.46
HSD17B10 Q99714 2/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL3597779 0.85 KMT2A (0.59) LMNACDK4CCND1MAPK1CYP1A2
SCHEMBL30229742 0.85 KMT2A (0.59) LMNACDK4CCND1MAPK1CYP1A2
SCHEMBL2037341 0.84 LMNA (0.65) LMNACDK4CCND1MAPK1CYP1A2
SCHEMBL20436342 0.82 HTR2A (0.45) LMNACDK4CCND1HTR2AHTR2C
SCHEMBL25338684 0.81 HTR7 (0.48) LMNAMTNR1AMTNR1B
SCHEMBL9324289 0.81 LMNA (0.61) LMNACDK4CCND1MAPK1CYP1A2
SCHEMBL10165541 0.81 LMNA (0.65) LMNACDK4CCND1MAPK1CYP1A2
SCHEMBL23612431 0.80 MTNR1A (0.41) LMNAMTNR1AMTNR1BTP53
SCHEMBL23116611 0.80 MAPK1 (0.67) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL23612433 0.79 S1PR1 (0.38) LMNAMAPK1CYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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 (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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 LMNA 4335/4885CDK4 1080/4885CCND1 2325/4885

“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.