SCHEMBL9926560

SCHEMBL9926560

Cc1cc(Cl)ccc1CC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.44
MTNR1B P49286 5/20 0.44
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
IDO1 P14902 2/20 0.41
P2RX7 Q99572 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL13136742 0.88 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1KDM4EHTT
SCHEMBL24252445 0.83 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1KDM4EHTT
SCHEMBL30451851 0.83 MTNR1A (0.53) MTNR1AMTNR1BALDH1A1KDM4EHTT
SCHEMBL24791847 0.83 MTNR1A (0.46) MTNR1AMTNR1BRXRARXRB
SCHEMBL10923842 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EHTTP2RX7CYP1A2
SCHEMBL2254145 0.81 MTNR1A (0.48) MTNR1AMTNR1BALDH1A1CYP2C9MAPT
SCHEMBL30298286 0.81 MTNR1A (0.44) MTNR1AMTNR1BALDH1A1KDM4EHTT
SCHEMBL27856309 0.81 POLQ (0.54) MTNR1AMTNR1BALDH1A1KDM4EHTT
SCHEMBL20933091 0.81 LPAR1 (0.42) MTNR1AMTNR1BALDH1A1KDM4EHTT
SCHEMBL19974304 0.80 MTNR1A (0.50) MTNR1AMTNR1BALDH1A1KDM4EHTT

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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS NOVARTIS AG (CH) 2012-06-14 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-20120149661-A1 TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS MDM4, MDM2, TP53 MTNR1A 214/4885MTNR1B 443/4885ALDH1A1 4361/4885

“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.