SCHEMBL3789902

SCHEMBL3789902

CC(C)(C)Oc1cccc(Cl)c1OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
KCNH2 Q12809 2/20 0.39
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 1/20 0.33
HPGD P15428 1/20 0.33
LMNA P02545 3/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
HTR1A P08908 5/20 0.32
SLC6A2 P23975 3/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
DPP4 P27487 1/20 0.32
DAO P14920 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL13020125 0.89 KMT2A (0.38) L3MBTL1KCNH2KMT2ACYP1A2CYP2A6
SCHEMBL2220781 0.86 KCNH2 (0.43) KCNH2HPGDLMNAKDM4ESMN1; SMN2
SCHEMBL13489644 0.81 KDM4E (0.45) L3MBTL1KCNH2KMT2ACYP1A2LMNA
SCHEMBL24252065 0.80 ALDH1A1 (0.41) KCNH2KMT2ACYP1A2HPGDLMNA
SCHEMBL2737124 0.79 LMNA (0.43) L3MBTL1KCNH2KMT2AHPGDLMNA
SCHEMBL3789699 0.79 ALDH1A1 (0.47) KCNH2KMT2ATSHRGAAHTR1A
SCHEMBL4004810 0.78 KCNH2 (0.39) KCNH2KMT2ACYP1A2CYP2A6LMNA
SCHEMBL2908824 0.77 ALDH1A1 (0.43) KCNH2KMT2AHPGDLMNATSHR
SCHEMBL2046579 0.77 KCNH2 (0.38) KCNH2KDM4E
SCHEMBL18190392 0.77 KCNH2 (0.38) L3MBTL1KCNH2KMT2ACYP1A2CYP2A6

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 L3MBTL1 3838/4885KCNH2 1145/4885KMT2A 1474/4885

“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.