SCHEMBL4006330

SCHEMBL4006330

COC(=O)C(C)(CC1CCCCC1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.46
CHRM3 P20309 9/20 0.45
CHRM2 P08172 7/20 0.45
CHRM4 P08173 7/20 0.45
CHRM1 P11229 7/20 0.45
CCR1 P32246 1/20 0.44
POLB P06746 1/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
KCNH2 Q12809 1/20 0.43
ABCB11 O95342 1/20 0.43
ESR1 P03372 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43

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
SCHEMBL4002032 0.99 KCNN4 (0.47) KCNN4CHRM3CHRM2CHRM4CHRM1
SCHEMBL3998747 0.96 KCNN4 (0.47) KCNN4CHRM3CHRM2CHRM4CHRM1
SCHEMBL4006317 0.85 KEAP1 (0.46) CHRM3CHRM2CHRM4CHRM1CCR1
SCHEMBL4006253 0.83 KEAP1 (0.47) CHRM3CHRM2CHRM4CHRM1CCR1
SCHEMBL4001379 0.81 CHRM3 (0.43) CHRM3CHRM2CHRM1CCR1CYP2C19
SCHEMBL4006652 0.80 CHRM3 (0.44) CHRM3CHRM2CHRM1CCR1CYP2C19
SCHEMBL4004647 0.78 TSHR (0.44) CHRM3CHRM2CHRM4CHRM1POLB
SCHEMBL4007594 0.76 SLC6A2 (0.43) CHRM3CHRM2CHRM4CHRM1POLB
SCHEMBL10982127 0.75 KCNN4 (0.58) KCNN4CHRM3CHRM2CHRM4CHRM1
SCHEMBL4953286 0.75 KCNN4 (0.58) KCNN4CHRM3CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538105-B2 Anti-infective agents ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-20080193413-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2008-08-14 US disclosed
US-7378414-B2 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBOTT LABORATORIES (US) 2008-05-27 US disclosed
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBVIE INC. 2005-05-19 US disclosed
WO-2005019191-A2 1, 1-DIOXIDO-4H-1,2,4-BENZOTHIADIAZINE DERIVATE UND VERWANDTE VERBINDUNGEN ALS INHIBITOREN DER HCV POLYMERASE ZUR BEHANDLUNG VON HEPATITIS C ABBOTT LABORATORIES (US) 2005-03-03 WO 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 (2 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-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT KCNN4 4830/4885CHRM3 4683/4885CHRM2 4793/4885
US-20050107364-A1 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone POLRMT, RNASE1, RNGTT KCNN4 4583/4885CHRM3 4682/4885CHRM2 4875/4885

“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.