SCHEMBL12891100

SCHEMBL12891100

CN(Cc1ccc(C(C)(C)C)cc1)CC1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 1/20 0.47
▸ SIGMAR1 Q99720 3/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ ADRA2A P08913 2/20 0.47
▸ NR1I2 O75469 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ HDAC3 O15379 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ CXCR3 P49682 1/20 0.39
▸ PYCR1 P32322 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ ADRA1D P25100 1/20 0.37

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
SCHEMBL25531036 0.93 EP300 (0.45) EP300SIGMAR1KCNH2ADRA2ANR1I2
SCHEMBL25531051 0.85 SIGMAR1 (0.43) EP300SIGMAR1KCNH2ADRA2ANR1I2
SCHEMBL25530557 0.81 HDAC8 (0.40) EP300SIGMAR1KCNH2ADRA2ANR1I2
SCHEMBL16327151 0.80 PYCR1 (0.50) SLC6A2SLC6A4CXCR3PYCR1LSS
SCHEMBL17887960 0.79 PYCR1 (0.51) SLC6A2SLC6A4CXCR3PYCR1
SCHEMBL4267535 0.79 CXCR3 (0.41) SIGMAR1LMNACXCR3LSS
SCHEMBL1240985 0.79 PYCR1 (0.51) CXCR3PYCR1LSS
SCHEMBL14045705 0.78 ALDH1A1 (0.52) SIGMAR1LMNAPYCR1
SCHEMBL12891088 0.76 KCNH2 (0.53) SIGMAR1KCNH2ADRA2ANR1I2LMNA
SCHEMBL25531054 0.75 SIGMAR1 (0.42) EP300SIGMAR1KCNH2ADRA2ANR1I2

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-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 — — US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 — — 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-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 EP300 397/4885SIGMAR1 1507/4885KCNH2 2264/4885

“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.

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