SCHEMBL5403647

SCHEMBL5403647

C[C@H]1[C@H](C)C(C)(C)c2ccccc2C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
CHRNA7 P36544 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PDK2 Q15119 1/20 0.34
PDK4 Q16654 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
SCHEMBL5403636 1.00 HTR2A (0.37) HTR2ACHRNA7SIGMAR1PDK2PDK4
SCHEMBL5403641 1.00 HTR2A (0.37) HTR2ACHRNA7SIGMAR1PDK2PDK4
SCHEMBL6435749 0.82 HTR2A (0.37) HTR2ASIGMAR1PDK2PDK4
SCHEMBL29431859 0.82 HTR2A (0.37) HTR2ASIGMAR1PDK2PDK4
SCHEMBL27485226 0.80 HTR2A (0.35) HTR2ASIGMAR1PDK2PDK4
SCHEMBL10910876 0.78 HTR2A (0.34) HTR2ASIGMAR1PDK2PDK4
SCHEMBL29340140 0.78
SCHEMBL2999927 0.77 PDK2 (0.37) HTR2APDK2PDK4
SCHEMBL28251485 0.76 HTR2A (0.42) HTR2ASIGMAR1
SCHEMBL24701906 0.74 HTR2A (0.35) HTR2APDK2PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253141-B2 Musk odorant compounds FIRMENICH SA (CH) 2007-08-07 US disclosed
EP-1689728-B1 MUSK ODORANT COMPOUNDS FIRMENICH & CIE (CH) 2007-04-11 EP disclosed
US-20060211598-A1 Musk odorant compounds FIRMENICH SA (CH) 2006-09-21 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-20060211598-A1 Musk odorant compounds KHK, KCNK5, KLK5 HTR2A 215/4885CHRNA7 543/4885SIGMAR1 1849/4885

“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.